Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1 |
InChIKey | InChI | 1.03 | KDFKJOFJHSVROC-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4OC |
SMILES | CACTVS | 3.385 | COc1cc2CCN3Cc4c(C[CH]3c2cc1O)ccc(OC)c4OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2)O)OC |