2-[(1-chloranyl-4-oxidanyl-6,7-diphenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-chloranyl-4-oxidanyl-6,7-diphenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-chloro-4-hydroxy-6,7-diphenoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-chloro-4-hydroxy-6,7-diphenoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-chloro-4-hydroxy-6,7-diphenoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-chloro-4-hydroxy-6,7-diphenoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C24H17ClN2O6 MolecularWeight: 464.85458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C3C(=C2)C(=C(N=C3Cl)C(=O)NCC(=O)O)O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C3C(=C2)C(=C(N=C3Cl)C(=O)NCC(=O)O)O)OC4=CC=CC=C4

InChI

InChI=1S/C24H17ClN2O6/c25-23-17-12-19(33-15-9-5-2-6-10-15)18(32-14-7-3-1-4-8-14)11-16(17)22(30)21(27-23)24(31)26-13-20(28)29/h1-12,30H,13H2,(H,26,31)(H,28,29)