Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H25NO2/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14,16H2,1H3/b20-13+ |
InChIKey | InChI | 1.03 | CNIWTTNRVIMZIP-DEDYPNTBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2c(CC(=C/C3CCN(CC3)Cc4ccccc4)\C2=O)c1 |
SMILES | CACTVS | 3.385 | COc1ccc2c(CC(=CC3CCN(CC3)Cc4ccccc4)C2=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)C/C(=C\C3CCN(CC3)Cc4ccccc4)/C2=O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)CC(=CC3CCN(CC3)Cc4ccccc4)C2=O |