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

Systemtic Name: 2-[(4-oxidanyl-1-phenylazanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-anilino-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-anilino-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-anilino-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-anilino-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

InChI

InChI=1S/C18H15N3O4/c22-14(23)10-19-18(25)15-16(24)12-8-4-5-9-13(12)17(21-15)20-11-6-2-1-3-7-11/h1-9,24H,10H2,(H,19,25)(H,20,21)(H,22,23)