tert-butyl (1S)-1-[(E)-4-ethoxy-4-oxidanylidene-but-2-enyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (1S)-1-[(E)-4-ethoxy-4-oxidanylidene-but-2-enyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (1S)-1-[(E)-4-ethoxy-4-oxo-but-2-enyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1S)-1-[(E)-4-ethoxy-4-oxobut-2-enyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-1-[(E)-4-ethoxy-4-oxobut-2-enyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1S)-1-[(E)-4-ethoxy-4-keto-but-2-enyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC1C2=CC(=C(C=C2CCN1C(=O)OC(C)(C)C)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO6/c1-7-28-20(24)10-8-9-17-16-14-19(27-6)18(26-5)13-15(16)11-12-23(17)21(25)29-22(2,3)4/h8,10,13-14,17H,7,9,11-12H2,1-6H3/b10-8+/t17-/m0/s1