2-[(1-methyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-methyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(4-hydroxy-1-methyl-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(4-hydroxy-1-methyl-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-hydroxy-1-methylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(4-hydroxy-1-methyl-isoquinoline-3-carbonyl)amino]acetic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C2=CC=CC=C12)O)C(=O)NCC(=O)O

Isomeric SMILES

CC1=NC(=C(C2=CC=CC=C12)O)C(=O)NCC(=O)O

InChI

InChI=1S/C13H12N2O4/c1-7-8-4-2-3-5-9(8)12(18)11(15-7)13(19)14-6-10(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)