Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3cc2c1cc(Cl)ccc1nc2cc3C(C)C(O)=O |
InChI | InChI | 1.03 | InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m1/s1 |
InChIKey | InChI | 1.03 | PUXBGTOOZJQSKH-MRVPVSSYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1 |
SMILES | CACTVS | 3.385 | C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O |