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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NC(=C(C2=C1C=C(C=C2)OC3=CC=CC=C3)O)C(=O)NCC(=O)O

Isomeric SMILES

COCC1=NC(=C(C2=C1C=C(C=C2)OC3=CC=CC=C3)O)C(=O)NCC(=O)O

InChI

InChI=1S/C20H18N2O6/c1-27-11-16-15-9-13(28-12-5-3-2-4-6-12)7-8-14(15)19(25)18(22-16)20(26)21-10-17(23)24/h2-9,25H,10-11H2,1H3,(H,21,26)(H,23,24)