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PDBeChem : Molecule Descriptors
Molecule : 89C
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C17H15NO4/c1-18(11-7-8-16(21-2)14(19)9-11)13-10-17(20)22-15-6-4-3-5-12(13)15/h3-10,19H,1-2H3 |
2 |
InChIKey
|
InChI |
1.03 |
RYPRBMJTFFTZNM-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
COc1ccc(cc1O)N(C)C2=CC(=O)Oc3ccccc23 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3 |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
COc1ccc(cc1O)N(C)C2=CC(=O)Oc3ccccc23 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3 |
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