Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1cnc(cc1)C4(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(O)=O)C(C)(C)CCC2(C)C |
SMILES | CACTVS | 3.341 | Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(O)=O)C(C)(C)CCC2(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC2(C)C)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC2(C)C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27) |
InChIKey | InChI | 1.03 | SLXTWXQUEZSSTJ-UHFFFAOYSA-N |