Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-14-21(8-9-22(17)23)27-16-20-10-12-25(13-11-20)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3 |
InChIKey | InChI | 1.06 | MWFBGTXYOJLQIW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(C)c2ccc(OCC3CCN(CC3)Cc4ccccc4)cc2OC1=O |
SMILES | CACTVS | 3.385 | CC1=C(C)c2ccc(OCC3CCN(CC3)Cc4ccccc4)cc2OC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCN(CC3)Cc4ccccc4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCN(CC3)Cc4ccccc4)C |