[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] quinoline-8-carboxylate

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] quinoline-8-carboxylate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] quinoline-8-carboxylate CAS Name: 8-quinolinecarboxylic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] quinoline-8-carboxylate Traditional Name: quinoline-8-carboxylic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)C3=CC=CC4=C3N=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)C3=CC=CC4=C3N=CC=C4)OC

InChI

InChI=1S/C23H22N2O5/c1-28-19-11-16-8-10-25(13-17(16)12-20(19)29-2)21(26)14-30-23(27)18-7-3-5-15-6-4-9-24-22(15)18/h3-7,9,11-12H,8,10,13-14H2,1-2H3