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

Systemtic Name: 2-[(4-oxidanyl-1-pyridin-3-yloxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-1-(3-pyridyloxy)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-1-(3-pyridinyloxy)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-hydroxy-1-pyridin-3-yloxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[[4-hydroxy-1-(3-pyridyloxy)isoquinoline-3-carbonyl]amino]acetic acid Formula: C17H13N3O5 MolecularWeight: 339.30222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N=C2OC3=CN=CC=C3)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N=C2OC3=CN=CC=C3)C(=O)NCC(=O)O)O

InChI

InChI=1S/C17H13N3O5/c21-13(22)9-19-16(24)14-15(23)11-5-1-2-6-12(11)17(20-14)25-10-4-3-7-18-8-10/h1-8,23H,9H2,(H,19,24)(H,21,22)