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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=C(C=C4)OC)Cl

InChI

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