2-[(1-cyano-4-oxidanyl-8-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-cyano-4-oxidanyl-8-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-cyano-4-hydroxy-8-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-cyano-4-hydroxy-8-phenoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-cyano-4-hydroxy-8-phenoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-cyano-4-hydroxy-8-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C19H13N3O5 MolecularWeight: 363.32362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O5/c20-9-13-16-12(18(25)17(22-13)19(26)21-10-15(23)24)7-4-8-14(16)27-11-5-2-1-3-6-11/h1-8,25H,10H2,(H,21,26)(H,23,24)