(phenylmethyl) 2-(2-oxidanylidenepropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-oxidanylidenepropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: benzyl 2-(2-oxopropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(1,2-dioxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-oxopropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-pyruvoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid benzyl ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19NO4/c1-14(22)19(23)21-12-17-10-6-5-9-16(17)11-18(21)20(24)25-13-15-7-3-2-4-8-15/h2-10,18H,11-13H2,1H3