(phenylmethyl) (1S)-6,7-dimethoxy-1-(2-oxidanylideneethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (1S)-6,7-dimethoxy-1-(2-oxidanylideneethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (1S)-6,7-dimethoxy-1-(2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1S)-6,7-dimethoxy-1-(2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S)-6,7-dimethoxy-1-(2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1S)-1-(2-ketoethyl)-6,7-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=C(C=C2C(N(CCC2=C1)C(=O)OCC3=CC=CC=C3)CC=O)OC

Isomeric SMILES

COC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)OCC3=CC=CC=C3)CC=O)OC

InChI

InChI=1S/C21H23NO5/c1-25-19-12-16-8-10-22(18(9-11-23)17(16)13-20(19)26-2)21(24)27-14-15-6-4-3-5-7-15/h3-7,11-13,18H,8-10,14H2,1-2H3/t18-/m0/s1