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

Systemtic Name: 3-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]butanoic acid Openeye Name: 3-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid CAS Name: 3-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]butanoic acid IUPAC Name: 3-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid Traditional Name: 3-[(1-keto-2H-isoquinoline-3-carbonyl)amino]butyric acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4/c1-8(6-12(17)18)15-14(20)11-7-9-4-2-3-5-10(9)13(19)16-11/h2-5,7-8H,6H2,1H3,(H,15,20)(H,16,19)(H,17,18)