3-methyl-2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid CAS Name: 3-methyl-2-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid Traditional Name: 2-[(1-keto-2H-isoquinoline-3-carbonyl)amino]-3-methyl-butyric acid Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C(=O)N1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C15H16N2O4/c1-8(2)12(15(20)21)17-14(19)11-7-9-5-3-4-6-10(9)13(18)16-11/h3-8,12H,1-2H3,(H,16,18)(H,17,19)(H,20,21)