ethyl 1-[1,3-bis(oxidanyl)propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[1,3-bis(oxidanyl)propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[2-hydroxy-1-(hydroxymethyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(1,3-dihydroxypropan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-dihydroxypropan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-hydroxy-1-methylol-ethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C17H25NO6 MolecularWeight: 339.3835

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1C(CO)CO)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2C1C(CO)CO)OC)OC

InChI

InChI=1S/C17H25NO6/c1-4-24-17(21)18-6-5-11-7-14(22-2)15(23-3)8-13(11)16(18)12(9-19)10-20/h7-8,12,16,19-20H,4-6,9-10H2,1-3H3