Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1CCN(C1)CCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C31H34N2O3/c1-22-13-16-32(21-22)17-18-36-27-10-7-23(8-11-27)29-28-12-9-26(34)19-25(28)20-31(14-15-31)33(29)30(35)24-5-3-2-4-6-24/h2-12,19,22,29,34H,13-18,20-21H2,1H3/t22-,29-/m1/s1 |
InChIKey | InChI | 1.06 | ULSUZDNWLGJRBJ-KPURRNSFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCN(CCOc2ccc(cc2)[C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1 |
SMILES | CACTVS | 3.385 | C[CH]1CCN(CCOc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CCN(C1)CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCN(C1)CCOc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O |