[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3,7,8-trimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3,7,8-trimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 3,7,8-trimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3,7,8-trimethyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 3,7,8-trimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 3,7,8-trimethyl-2-phenyl-cinchoninic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H22ClNO3/c1-16-9-14-22-24(27(31)32-15-23(30)19-10-12-21(28)13-11-19)18(3)25(29-26(22)17(16)2)20-7-5-4-6-8-20/h4-14H,15H2,1-3H3