[2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-(2-chlorophenyl)-2-oxo-ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [2-(2-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-(2-chlorophenyl)-2-keto-ethyl] ester Formula: C25H18ClNO4 MolecularWeight: 431.86772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H18ClNO4/c1-27-23(25(30)31-15-21(28)19-13-7-8-14-20(19)26)22(16-9-3-2-4-10-16)17-11-5-6-12-18(17)24(27)29/h2-14H,15H2,1H3