Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+ |
InChIKey | InChI | 1.03 | LPMOTUSFDTTWJL-UDWIEESQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CC(=C/C3CCN(CC3)Cc4ccccc4)\C(=O)c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2CC(=CC3CCN(CC3)Cc4ccccc4)C(=O)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc2c(cc1OC)C(=O)/C(=C/C3CCN(CC3)Cc4ccccc4)/C2 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc2c(cc1OC)C(=O)C(=CC3CCN(CC3)Cc4ccccc4)C2 |