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

Systemtic Name: 2-[[1-chloranyl-6-(4-methoxyphenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-chloro-4-hydroxy-6-(4-methoxyphenoxy)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-chloro-4-hydroxy-6-(4-methoxyphenoxy)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-chloro-4-hydroxy-6-(4-methoxyphenoxy)isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-chloro-4-hydroxy-6-(4-methoxyphenoxy)isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H15ClN2O6 MolecularWeight: 402.7852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=NC(=C3O)C(=O)NCC(=O)O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=NC(=C3O)C(=O)NCC(=O)O)Cl

InChI

InChI=1S/C19H15ClN2O6/c1-27-10-2-4-11(5-3-10)28-12-6-7-13-14(8-12)17(25)16(22-18(13)20)19(26)21-9-15(23)24/h2-8,25H,9H2,1H3,(H,21,26)(H,23,24)