[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 6-bromo-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-cinchoninic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C31H21BrFNO4 MolecularWeight: 570.405143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H21BrFNO4/c32-23-10-15-28-26(16-23)27(31(36)38-19-30(35)22-6-11-24(33)12-7-22)17-29(34-28)21-8-13-25(14-9-21)37-18-20-4-2-1-3-5-20/h1-17H,18-19H2