phenacyl 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: phenacyl 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: phenacyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid phenacyl 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=C(C=C3)Cl)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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