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E8Z : Summary
Code
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E8Z
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One-letter code
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X
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Molecule name
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~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide
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Systematic names
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Formula
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C18 H15 N O3
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Formal charge
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0
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Molecular weight
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293.317 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Cc1ccc(NC(=O)C2=COc3ccccc3C2=O)cc1C |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O |
Canonical SMILES
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CACTVS |
3.385 |
Cc1ccc(NC(=O)C2=COc3ccccc3C2=O)cc1C |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O |
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IUPAC InChI | InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21) |
IUPAC InChI key | WDCZOLPCRVTBPH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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37 (22 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2018-03-05
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Last modified at
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2018-04-20
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Status
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Released
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Obsoleted
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Not Assigned
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