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

Systemtic Name: [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(3R)-3-carbomethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl] ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H20N2O5/c1-29-23(28)20-12-16-7-2-3-8-17(16)13-25(20)21(26)14-30-22(27)19-11-10-15-6-4-5-9-18(15)24-19/h2-11,20H,12-14H2,1H3/t20-/m1/s1