[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-10(2)9-18-15(20)11(3)23-17(22)14-8-12-6-4-5-7-13(12)16(21)19-14/h4-8,10-11H,9H2,1-3H3,(H,18,20)(H,19,21)/t11-/m0/s1