Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1c2CN3CCc4cc(OC)c(OC)cc4C3Cc2ccc1OC |
InChI | InChI | 1.03 | InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1 |
InChIKey | InChI | 1.03 | AEQDJSLRWYMAQI-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CCN3Cc4c(C[C@@H]3c2cc1OC)ccc(OC)c4OC |
SMILES | CACTVS | 3.385 | COc1cc2CCN3Cc4c(C[CH]3c2cc1OC)ccc(OC)c4OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@H]3C2)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2)OC)OC |