tert-butyl (1R)-6,7-dimethoxy-1-(2-oxidanylideneethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (1R)-6,7-dimethoxy-1-(2-oxidanylideneethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (1R)-6,7-dimethoxy-1-(2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1R)-6,7-dimethoxy-1-(2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R)-6,7-dimethoxy-1-(2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1R)-1-(2-ketoethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC=O)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2[C@H]1CC=O)OC)OC

InChI

InChI=1S/C18H25NO5/c1-18(2,3)24-17(21)19-8-6-12-10-15(22-4)16(23-5)11-13(12)14(19)7-9-20/h9-11,14H,6-8H2,1-5H3/t14-/m1/s1