Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1CCC2(O)C3Cc4ccc(OC)c5OC1C2(CCN3C)c54 |
InChI | InChI | 1.03 | InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1 |
InChIKey | InChI | 1.03 | BRUQQQPBMZOVGD-XFKAJCMBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |
SMILES | CACTVS | 3.385 | COc1ccc2C[CH]3N(C)CC[C]45[CH](Oc1c24)C(=O)CC[C]35O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCC23c4c5ccc(c4OC2C(=O)CCC3(C1C5)O)OC |