2-[2-[(6,7-dimethoxy-8-oxidanylidene-3,4-dihydro-2H-isoquinolin-1-yl)methyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-[(6,7-dimethoxy-8-oxidanylidene-3,4-dihydro-2H-isoquinolin-1-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[2-[(6,7-dimethoxy-8-oxo-3,4-dihydro-2H-isoquinolin-1-yl)methyl]phenyl]acetic acid CAS Name: 2-[2-[(6,7-dimethoxy-8-oxo-3,4-dihydro-2H-isoquinolin-1-yl)methyl]phenyl]acetic acid IUPAC Name: 2-[2-[(6,7-dimethoxy-8-oxo-3,4-dihydro-2H-isoquinolin-1-yl)methyl]phenyl]acetic acid Traditional Name: 2-[2-[(8-keto-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-yl)methyl]phenyl]acetic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(NCCC2=C1)CC3=CC=CC=C3CC(=O)O)OC

Isomeric SMILES

COC1=C(C(=O)C2=C(NCCC2=C1)CC3=CC=CC=C3CC(=O)O)OC

InChI

InChI=1S/C20H21NO5/c1-25-16-10-14-7-8-21-15(18(14)19(24)20(16)26-2)9-12-5-3-4-6-13(12)11-17(22)23/h3-6,10,21H,7-9,11H2,1-2H3,(H,22,23)