3-[3-(methylcarbamoyl)-1-oxidanylidene-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[3-(methylcarbamoyl)-1-oxidanylidene-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[3-(methylcarbamoyl)-1-oxo-2-isoquinolyl]propanoic acid CAS Name: 3-[3-(methylcarbamoyl)-1-oxo-2-isoquinolinyl]propanoic acid IUPAC Name: 3-[3-(methylcarbamoyl)-1-oxoisoquinolin-2-yl]propanoic acid Traditional Name: 3-[1-keto-3-(methylcarbamoyl)-2-isoquinolyl]propionic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC2=CC=CC=C2C(=O)N1CCC(=O)O

Isomeric SMILES

CNC(=O)C1=CC2=CC=CC=C2C(=O)N1CCC(=O)O

InChI

InChI=1S/C14H14N2O4/c1-15-13(19)11-8-9-4-2-3-5-10(9)14(20)16(11)7-6-12(17)18/h2-5,8H,6-7H2,1H3,(H,15,19)(H,17,18)