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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-3-8-17-14(19)10(2)22-16(21)13-9-11-6-4-5-7-12(11)15(20)18-13/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)(H,18,20)/t10-/m0/s1