2-[(4-oxidanyl-8-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(4-oxidanyl-8-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(4-hydroxy-8-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(4-hydroxy-8-phenoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-hydroxy-8-phenoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(4-hydroxy-8-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC3=C(C(=NC=C32)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC3=C(C(=NC=C32)C(=O)NCC(=O)O)O

InChI

InChI=1S/C18H14N2O5/c21-15(22)10-20-18(24)16-17(23)12-7-4-8-14(13(12)9-19-16)25-11-5-2-1-3-6-11/h1-9,23H,10H2,(H,20,24)(H,21,22)