Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(c1ccc(O)cc1)C(N2CCC(CC2)Cc3ccccc3)C |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H]([C@H](O)c1ccc(O)cc1)N2CC[C@@H](CC2)Cc3ccccc3 |
SMILES | CACTVS | 3.370 | C[CH]([CH](O)c1ccc(O)cc1)N2CC[CH](CC2)Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1 |
InChIKey | InChI | 1.03 | UYNVMODNBIQBMV-KKSFZXQISA-N |