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

Systemtic Name: 2-[[1-(4-acetamidophenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(4-acetamidophenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-(4-acetamidophenoxy)-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(4-acetamidophenoxy)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(4-acetamidophenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

InChI

InChI=1S/C20H17N3O6/c1-11(24)22-12-6-8-13(9-7-12)29-20-15-5-3-2-4-14(15)18(27)17(23-20)19(28)21-10-16(25)26/h2-9,27H,10H2,1H3,(H,21,28)(H,22,24)(H,25,26)