3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanoic acid

Systemtic Name: 3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanoic acid IUPAC Name: 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)O

InChI

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