2-[[8-(3-methoxyphenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[8-(3-methoxyphenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-8-(3-methoxyphenoxy)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-8-(3-methoxyphenoxy)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-8-(3-methoxyphenoxy)isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-8-(3-methoxyphenoxy)isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=CC=CC3=C(C(=NC=C32)C(=O)NCC(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)OC2=CC=CC3=C(C(=NC=C32)C(=O)NCC(=O)O)O

InChI

InChI=1S/C19H16N2O6/c1-26-11-4-2-5-12(8-11)27-15-7-3-6-13-14(15)9-20-17(18(13)24)19(25)21-10-16(22)23/h2-9,24H,10H2,1H3,(H,21,25)(H,22,23)