[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O4 MolecularWeight: 350.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H18N2O4/c1-13(18(23)21-12-14-7-3-2-4-8-14)26-20(25)17-11-15-9-5-6-10-16(15)19(24)22-17/h2-11,13H,12H2,1H3,(H,21,23)(H,22,24)