4-[methyl-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonyl]amino]butanoic acid Openeye Name: 4-[methyl-(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid CAS Name: 4-[methyl-[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]butanoic acid IUPAC Name: 4-[methyl-(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid Traditional Name: 4-[(1-keto-2H-isoquinoline-3-carbonyl)-methyl-amino]butyric acid Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/c1-17(8-4-7-13(18)19)15(21)12-9-10-5-2-3-6-11(10)14(20)16-12/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,20)(H,18,19)