2-[(4-oxidanyl-6-pyridin-3-yloxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(4-oxidanyl-6-pyridin-3-yloxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-6-(3-pyridyloxy)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-6-(3-pyridinyloxy)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-hydroxy-6-pyridin-3-yloxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[[4-hydroxy-6-(3-pyridyloxy)isoquinoline-3-carbonyl]amino]acetic acid Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC(=CN=C1)OC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC(=O)O)O

InChI

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