[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)cinchoninic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C31H21Cl2NO4 MolecularWeight: 542.40874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C31H21Cl2NO4/c32-22-12-15-25(27(33)16-22)30(35)19-38-31(36)26-17-29(34-28-9-5-4-8-24(26)28)21-10-13-23(14-11-21)37-18-20-6-2-1-3-7-20/h1-17H,18-19H2