Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1c(cc(n1C)CC(=O)O)C)c2ccc(Cl)cc2 |
SMILES_CANONICAL | CACTVS | 3.370 | Cn1c(CC(O)=O)cc(C)c1C(=O)c2ccc(Cl)cc2 |
SMILES | CACTVS | 3.370 | Cn1c(CC(O)=O)cc(C)c1C(=O)c2ccc(Cl)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19) |
InChIKey | InChI | 1.03 | ZXVNMYWKKDOREA-UHFFFAOYSA-N |