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PDBeChem : Molecule Descriptors
Molecule : UVD
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17) |
2 |
InChIKey
|
InChI |
1.03 |
ZWUBZIQOXMHHOZ-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
n2ccc(Cc1ccc(cc1)NC(OC)=O)cc2 |
4 |
SMILES
|
CACTVS |
3.385 |
COC(=O)Nc1ccc(Cc2ccncc2)cc1 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
COC(=O)Nc1ccc(cc1)Cc2ccncc2 |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
COC(=O)Nc1ccc(Cc2ccncc2)cc1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
COC(=O)Nc1ccc(cc1)Cc2ccncc2 |
|