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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/c1-2-5-11(15(20)21)16-14(19)12-8-9-6-3-4-7-10(9)13(18)17-12/h3-4,6-8,11H,2,5H2,1H3,(H,16,19)(H,17,18)(H,20,21)