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

Systemtic Name: 2-[[4-oxidanyl-1-(phenylcarbonyl)isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(1-benzoyl-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-benzoyl-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-benzoyl-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-benzoyl-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C19H14N2O5 MolecularWeight: 350.32486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

InChI

InChI=1S/C19H14N2O5/c22-14(23)10-20-19(26)16-18(25)13-9-5-4-8-12(13)15(21-16)17(24)11-6-2-1-3-7-11/h1-9,25H,10H2,(H,20,26)(H,22,23)