Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1Nc2c(O)ccc(c2OC1)C(O)CNC(C)(C)Cc3ccccc3C |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccccc1CC(C)(C)NC[C@H](O)c2ccc(O)c3NC(=O)COc23 |
SMILES | CACTVS | 3.370 | Cc1ccccc1CC(C)(C)NC[CH](O)c2ccc(O)c3NC(=O)COc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccccc1CC(C)(C)NC[C@@H](c2ccc(c3c2OCC(=O)N3)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccccc1CC(C)(C)NCC(c2ccc(c3c2OCC(=O)N3)O)O |
InChI | InChI | 1.03 | InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | NWQXBEWHTDRJIP-KRWDZBQOSA-N |