Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(C)c1ccc2c3cc(Cl)ccc3[NH]c2c1C |
InChI | InChI | 1.06 | InChI=1S/C16H14ClNO2/c1-8-11(9(2)16(19)20)4-5-12-13-7-10(17)3-6-14(13)18-15(8)12/h3-7,9,18H,1-2H3,(H,19,20)/t9-/m1/s1 |
InChIKey | InChI | 1.06 | ISYVWNKBJIDJSU-SECBINFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1C |
SMILES | CACTVS | 3.385 | C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)[C@@H](C)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)C(C)C(=O)O |