tert-butyl (1R)-6,7-dimethoxy-1-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (1R)-6,7-dimethoxy-1-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (1R)-1-(2-isopropoxy-2-oxo-ethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1R)-6,7-dimethoxy-1-(2-oxo-2-propan-2-yloxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R)-6,7-dimethoxy-1-(2-oxo-2-propan-2-yloxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1R)-1-(2-isopropoxy-2-keto-ethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C2=CC(=C(C=C2CCN1C(=O)OC(C)(C)C)OC)OC

Isomeric SMILES

CC(C)OC(=O)C[C@@H]1C2=CC(=C(C=C2CCN1C(=O)OC(C)(C)C)OC)OC

InChI

InChI=1S/C21H31NO6/c1-13(2)27-19(23)12-16-15-11-18(26-7)17(25-6)10-14(15)8-9-22(16)20(24)28-21(3,4)5/h10-11,13,16H,8-9,12H2,1-7H3/t16-/m1/s1