2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]vinyl]cinchoninic acid Formula: C29H21N3O4 MolecularWeight: 475.49474

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC4=NC5=CC=CC=C5C(=C4)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC4=NC5=CC=CC=C5C(=C4)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C29H21N3O4/c33-29(34)24-17-21(30-25-9-5-4-8-23(24)25)12-10-20-18-32(22-6-2-1-3-7-22)31-28(20)19-11-13-26-27(16-19)36-15-14-35-26/h1-13,16-18H,14-15H2,(H,33,34)