2-(1-azanyl-1-oxidanylidene-propan-2-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-(1-azanyl-1-oxidanylidene-propan-2-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-(2-amino-1-methyl-2-oxo-ethyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-(1-amino-1-oxopropan-2-yl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-(1-amino-1-oxopropan-2-yl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(2-amino-2-keto-1-methyl-ethyl)-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N)N1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4/c1-11(17(20)22)21-16(12-7-3-2-4-8-12)15(19(24)25)13-9-5-6-10-14(13)18(21)23/h2-11,15-16H,1H3,(H2,20,22)(H,24,25)