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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4/c1-2-10(14(19)20)15-13(18)11-7-8-5-3-4-6-9(8)12(17)16-11/h3-7,10H,2H2,1H3,(H,15,18)(H,16,17)(H,19,20)