4-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-(2,5-dimethoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C31H28BrN3O5 MolecularWeight: 602.47512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28BrN3O5/c1-18-30(31(19-7-5-4-6-8-19)22-15-20(32)9-11-24(22)33-18)25-17-26(35(34-25)28(36)13-14-29(37)38)23-16-21(39-2)10-12-27(23)40-3/h4-12,15-16,26H,13-14,17H2,1-3H3,(H,37,38)