4-[(3R)-5-(2,6-dimethyl-4-phenyl-quinolin-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-5-(2,6-dimethyl-4-phenyl-quinolin-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-5-(2,6-dimethyl-4-phenyl-3-quinolyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-5-(2,6-dimethyl-4-phenyl-3-quinolinyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-5-(2,6-dimethyl-4-phenylquinolin-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-3-(2,6-dimethyl-4-phenyl-3-quinolyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C31H28N3O4- MolecularWeight: 506.57172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C)C3=NN(C(C3)C4=CC=C(C=C4)OC)C(=O)CCC(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C)C3=NN([C@H](C3)C4=CC=C(C=C4)OC)C(=O)CCC(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C31H29N3O4/c1-19-9-14-25-24(17-19)31(22-7-5-4-6-8-22)30(20(2)32-25)26-18-27(21-10-12-23(38-3)13-11-21)34(33-26)28(35)15-16-29(36)37/h4-14,17,27H,15-16,18H2,1-3H3,(H,36,37)/p-1/t27-/m1/s1