[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 7,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-7,8-dimethyl-cinchoninic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C33H26ClNO4 MolecularWeight: 536.01684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C33H26ClNO4/c1-21-8-17-28-29(33(37)39-20-31(36)25-9-13-26(34)14-10-25)18-30(35-32(28)22(21)2)24-11-15-27(16-12-24)38-19-23-6-4-3-5-7-23/h3-18H,19-20H2,1-2H3