Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1c(c2cc(Cl)ccc2nc1C(C)C)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) |
InChIKey | InChI | 1.06 | CDYJYWKBTLRTHP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O |
SMILES | CACTVS | 3.385 | CC(C)c1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O |