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PDBeChem : Molecule Descriptors
Molecule : QCP
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
LAMIXXKAWNLXOC-INIZCTEOSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C |
4 |
SMILES
|
CACTVS |
3.385 |
CC(C)[CH](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(C)C(c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CC(C)[C@H](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO |
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