4-[(3R)-5-(6-chloranyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(2,4-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3R)-5-(6-chloranyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(2,4-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3R)-5-(6-chloro-2-methyl-4-phenyl-3-quinolyl)-3-(2,4-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3R)-5-(6-chloro-2-methyl-4-phenyl-3-quinolinyl)-3-(2,4-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3R)-5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,4-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[(5R)-3-(6-chloro-2-methyl-4-phenyl-3-quinolyl)-5-(2,4-dichlorophenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C29H22Cl3N3O3 MolecularWeight: 566.86228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C4=NN(C(C4)C5=C(C=C(C=C5)Cl)Cl)C(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C4=NN([C@H](C4)C5=C(C=C(C=C5)Cl)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C29H22Cl3N3O3/c1-16-28(29(17-5-3-2-4-6-17)21-13-18(30)8-10-23(21)33-16)24-15-25(20-9-7-19(31)14-22(20)32)35(34-24)26(36)11-12-27(37)38/h2-10,13-14,25H,11-12,15H2,1H3,(H,37,38)/t25-/m1/s1