[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-8-chloro-quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 8-chloro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-8-chloro-cinchoninic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C31H21ClFNO4 MolecularWeight: 525.954143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=C(C=CC=C4Cl)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=CC=C4Cl)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H21ClFNO4/c32-27-8-4-7-25-26(31(36)38-19-29(35)22-9-13-23(33)14-10-22)17-28(34-30(25)27)21-11-15-24(16-12-21)37-18-20-5-2-1-3-6-20/h1-17H,18-19H2