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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-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] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18N2O3/c24-20(23-12-11-15-5-1-2-7-17(15)13-23)14-26-21(25)19-10-9-16-6-3-4-8-18(16)22-19/h1-10H,11-14H2