Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1CCCN1CCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C31H34N2O3/c1-22-6-5-17-32(22)18-19-36-27-12-9-23(10-13-27)29-28-14-11-26(34)20-25(28)21-31(15-16-31)33(29)30(35)24-7-3-2-4-8-24/h2-4,7-14,20,22,29,34H,5-6,15-19,21H2,1H3/t22-,29-/m1/s1 |
InChIKey | InChI | 1.06 | OHGGEJWEOMFUHC-KPURRNSFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCCN1CCOc2ccc(cc2)[C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36 |
SMILES | CACTVS | 3.385 | C[CH]1CCCN1CCOc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCN1CCOc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O |