4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: 4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: 4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: 4-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: 4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: 2-keto-4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-3-(2-quinolyl)but-3-enoic acid Formula: C29H21N3O4 MolecularWeight: 475.49474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H21N3O4/c1-36-23-14-11-20(12-15-23)27-21(18-32(31-27)22-8-3-2-4-9-22)17-24(28(33)29(34)35)26-16-13-19-7-5-6-10-25(19)30-26/h2-18H,1H3,(H,34,35)