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

Systemtic Name: 2-[2-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[2-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[2-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[2-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[2-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]vinyl]cinchoninic acid Formula: C29H19N3O3 MolecularWeight: 457.47946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC5=NC6=CC=CC=C6C(=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC5=NC6=CC=CC=C6C(=C5)C(=O)O

InChI

InChI=1S/C29H19N3O3/c33-29(34)24-17-21(30-25-12-6-5-11-23(24)25)15-14-20-18-32(22-9-2-1-3-10-22)31-28(20)27-16-19-8-4-7-13-26(19)35-27/h1-18H,(H,33,34)