[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(4-phenylphenyl)cinchoninic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C31H21Cl2NO3 MolecularWeight: 526.40934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H21Cl2NO3/c1-19-7-14-28-25(15-19)26(31(36)37-18-30(35)24-13-12-23(32)16-27(24)33)17-29(34-28)22-10-8-21(9-11-22)20-5-3-2-4-6-20/h2-17H,18H2,1H3