[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C28H23ClN2O4 MolecularWeight: 486.94622

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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)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H23ClN2O4/c1-30-26(28(34)35-17-24(32)31-15-14-18-6-2-3-7-20(18)16-31)25(19-10-12-21(29)13-11-19)22-8-4-5-9-23(22)27(30)33/h2-13H,14-17H2,1H3