[(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1R)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1R)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC(=O)C1=CC2=CC=CC=C2C(=O)N1

Isomeric SMILES

C[C@H](C(=O)NCCOC)OC(=O)C1=CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C16H18N2O5/c1-10(14(19)17-7-8-22-2)23-16(21)13-9-11-5-3-4-6-12(11)15(20)18-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)(H,18,20)/t10-/m1/s1