4-[(3R)-5-(6-chloranyl-2-methyl-4-phenyl-quinolin-3-yl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3R)-5-(6-chloranyl-2-methyl-4-phenyl-quinolin-3-yl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3R)-5-(6-chloro-2-methyl-4-phenyl-3-quinolyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3R)-5-(6-chloro-2-methyl-4-phenyl-3-quinolinyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3R)-5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[(5R)-3-(6-chloro-2-methyl-4-phenyl-3-quinolyl)-5-phenyl-3-pyrazolin-1-yl]-4-keto-butyric acid Formula: C29H24ClN3O3 MolecularWeight: 497.97216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C4=CC(N(N4)C(=O)CCC(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C4=C[C@@H](N(N4)C(=O)CCC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H24ClN3O3/c1-18-28(29(20-10-6-3-7-11-20)22-16-21(30)12-13-23(22)31-18)24-17-25(19-8-4-2-5-9-19)33(32-24)26(34)14-15-27(35)36/h2-13,16-17,25,32H,14-15H2,1H3,(H,35,36)/t25-/m1/s1