4-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]butanoic acid Openeye Name: 4-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid CAS Name: 4-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]butanoic acid IUPAC Name: 4-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid Traditional Name: 4-[(1-keto-2H-isoquinoline-3-carbonyl)amino]butyric acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NCCCC(=O)O

InChI

InChI=1S/C14H14N2O4/c17-12(18)6-3-7-15-14(20)11-8-9-4-1-2-5-10(9)13(19)16-11/h1-2,4-5,8H,3,6-7H2,(H,15,20)(H,16,19)(H,17,18)