4-[3-(2-chloranyl-7-methoxy-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(2-chloranyl-7-methoxy-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-chloro-7-methoxy-3-quinolyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(2-chloro-7-methoxy-3-quinolinyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2-chloro-7-methoxy-3-quinolyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C24H22ClN3O4 MolecularWeight: 451.90218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=C(C=CC4=C3)OC)Cl)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=C(C=CC4=C3)OC)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C24H22ClN3O4/c1-14-3-5-15(6-4-14)20-13-21(28(27-20)22(29)9-10-23(30)31)18-11-16-7-8-17(32-2)12-19(16)26-24(18)25/h3-8,11-12,21H,9-10,13H2,1-2H3,(H,30,31)