[2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate

Systemtic Name: [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate Openeye Name: [2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic 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] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-[(3R)-3-carbomethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl] ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C22H19N3O5/c1-29-22(28)19-11-14-4-2-3-5-16(14)12-25(19)20(26)13-30-21(27)15-6-7-17-18(10-15)24-9-8-23-17/h2-10,19H,11-13H2,1H3/t19-/m1/s1