(phenylmethyl) 5,8-dimethoxy-1-(2-oxidanylideneethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 5,8-dimethoxy-1-(2-oxidanylideneethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 5,8-dimethoxy-1-(2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5,8-dimethoxy-1-(2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5,8-dimethoxy-1-(2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-ketoethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CCN(C(C2=C(C=C1)OC)CC=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C2CCN(C(C2=C(C=C1)OC)CC=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5/c1-25-18-8-9-19(26-2)20-16(18)10-12-22(17(20)11-13-23)21(24)27-14-15-6-4-3-5-7-15/h3-9,13,17H,10-12,14H2,1-2H3