Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1)C(=O)Nc2ccc3c(c2)C(CCC3(C)C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26) |
InChIKey | InChI | 1.03 | MUTNCGKQJGXKEM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 |
SMILES | CACTVS | 3.370 | CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C |
SMILES | OpenEye OEToolkits | 1.7.2 | CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C |