2-[2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[2-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]vinyl]cinchoninic acid Formula: C28H21N3O3 MolecularWeight: 447.48464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC3=NC4=CC=CC=C4C(=C3)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=CC3=NC4=CC=CC=C4C(=C3)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O3/c1-34-23-15-12-19(13-16-23)27-20(18-31(30-27)22-7-3-2-4-8-22)11-14-21-17-25(28(32)33)24-9-5-6-10-26(24)29-21/h2-18H,1H3,(H,32,33)