Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCn1c2ccc(C)cc2c(c2ccccc2)c1c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C24H21NO2/c1-17-12-13-21-20(16-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(21)15-14-22(26)27/h2-13,16H,14-15H2,1H3,(H,26,27) |
InChIKey | InChI | 1.06 | PTAQSYCAZMXLFA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2n(CCC(O)=O)c(c3ccccc3)c(c4ccccc4)c2c1 |
SMILES | CACTVS | 3.385 | Cc1ccc2n(CCC(O)=O)c(c3ccccc3)c(c4ccccc4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(c(n2CCC(=O)O)c3ccccc3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(c(n2CCC(=O)O)c3ccccc3)c4ccccc4 |