Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc4ccc(c1c(n3c(c1c2ccccc2)CC(C)(C3)C)CC(=O)O)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)Cn2c(CC(O)=O)c(c3ccc(Cl)cc3)c(c4ccccc4)c2C1 |
SMILES | CACTVS | 3.341 | CC1(C)Cn2c(CC(O)=O)c(c3ccc(Cl)cc3)c(c4ccccc4)c2C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(Cc2c(c(c(n2C1)CC(=O)O)c3ccc(cc3)Cl)c4ccccc4)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(Cc2c(c(c(n2C1)CC(=O)O)c3ccc(cc3)Cl)c4ccccc4)C |
InChI | InChI | 1.03 | InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) |
InChIKey | InChI | 1.03 | UAWXGRJVZSAUSZ-UHFFFAOYSA-N |