Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCCN1CC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C31H34N2O3/c1-2-16-32-19-22(20-32)21-36-27-11-8-23(9-12-27)29-28-13-10-26(34)17-25(28)18-31(14-15-31)33(29)30(35)24-6-4-3-5-7-24/h3-13,17,22,29,34H,2,14-16,18-21H2,1H3/t29-/m1/s1 |
InChIKey | InChI | 1.06 | LOIMCQIANZASAV-GDLZYMKVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCN1CC(COc2ccc(cc2)[C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1 |
SMILES | CACTVS | 3.385 | CCCN1CC(COc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCN1CC(C1)COc2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCN1CC(C1)COc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O |