2-[(1-bromanyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-bromanyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-bromo-4-hydroxy-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-bromo-4-hydroxy-7-phenoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-bromo-4-hydroxy-7-phenoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-bromo-4-hydroxy-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=C(N=C3Br)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=C(N=C3Br)C(=O)NCC(=O)O)O

InChI

InChI=1S/C18H13BrN2O5/c19-17-13-8-11(26-10-4-2-1-3-5-10)6-7-12(13)16(24)15(21-17)18(25)20-9-14(22)23/h1-8,24H,9H2,(H,20,25)(H,22,23)