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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C27H21ClN2O3 MolecularWeight: 456.92024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H21ClN2O3/c28-21-11-9-19(10-12-21)25-15-23(22-7-3-4-8-24(22)29-25)27(32)33-17-26(31)30-14-13-18-5-1-2-6-20(18)16-30/h1-12,15H,13-14,16-17H2