Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc(CC(CNC(=O)/C=C/c2cccc3ccccc32)N(C)C)cc1 |
InChI | InChI | 1.03 | InChI=1S/C24H26N2O2/c1-26(2)21(16-18-10-13-22(27)14-11-18)17-25-24(28)15-12-20-8-5-7-19-6-3-4-9-23(19)20/h3-15,21,27H,16-17H2,1-2H3,(H,25,28)/b15-12+/t21-/m0/s1 |
InChIKey | InChI | 1.03 | QWQSTUJMJIXJJS-NKSQBSFPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@H](CNC(=O)\C=C\c1cccc2ccccc12)Cc3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | CN(C)[CH](CNC(=O)C=Cc1cccc2ccccc12)Cc3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)[C@@H](Cc1ccc(cc1)O)CNC(=O)/C=C/c2cccc3c2cccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(Cc1ccc(cc1)O)CNC(=O)C=Cc2cccc3c2cccc3 |