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

Systemtic Name: 2-[(1-methoxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(4-hydroxy-1-methoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(4-hydroxy-1-methoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-hydroxy-1-methoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(4-hydroxy-1-methoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C2=CC=CC=C21)O)C(=O)NCC(=O)O

Isomeric SMILES

COC1=NC(=C(C2=CC=CC=C21)O)C(=O)NCC(=O)O

InChI

InChI=1S/C13H12N2O5/c1-20-13-8-5-3-2-4-7(8)11(18)10(15-13)12(19)14-6-9(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)