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

Systemtic Name: [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-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] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[(3R)-3-carbomethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N3CC4=CC=CC=C4C[C@@H]3C(=O)OC

InChI

InChI=1S/C24H22N2O5/c1-15-11-19(18-9-5-6-10-20(18)25-15)23(28)31-14-22(27)26-13-17-8-4-3-7-16(17)12-21(26)24(29)30-2/h3-11,21H,12-14H2,1-2H3/t21-/m1/s1