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

Systemtic Name: 2-[[7-(4-methoxyphenoxy)-1-methyl-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-7-(4-methoxyphenoxy)-1-methyl-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-7-(4-methoxyphenoxy)-1-methyl-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-7-(4-methoxyphenoxy)-1-methylisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-7-(4-methoxyphenoxy)-1-methyl-isoquinoline-3-carbonyl]amino]acetic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6/c1-11-16-9-14(28-13-5-3-12(27-2)4-6-13)7-8-15(16)19(25)18(22-11)20(26)21-10-17(23)24/h3-9,25H,10H2,1-2H3,(H,21,26)(H,23,24)