2-[[8-(4-fluoranylphenoxy)-1-methyl-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[8-(4-fluoranylphenoxy)-1-methyl-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[8-(4-fluorophenoxy)-4-hydroxy-1-methyl-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[8-(4-fluorophenoxy)-4-hydroxy-1-methyl-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[8-(4-fluorophenoxy)-4-hydroxy-1-methylisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[8-(4-fluorophenoxy)-4-hydroxy-1-methyl-isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H15FN2O5 MolecularWeight: 370.331203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C2=C1C(=CC=C2)OC3=CC=C(C=C3)F)O)C(=O)NCC(=O)O

Isomeric SMILES

CC1=NC(=C(C2=C1C(=CC=C2)OC3=CC=C(C=C3)F)O)C(=O)NCC(=O)O

InChI

InChI=1S/C19H15FN2O5/c1-10-16-13(18(25)17(22-10)19(26)21-9-15(23)24)3-2-4-14(16)27-12-7-5-11(20)6-8-12/h2-8,25H,9H2,1H3,(H,21,26)(H,23,24)