tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1S)-3-hydroxy-6,7-dimethoxy-1-veratryl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H33NO7 MolecularWeight: 459.53202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](C2=CC(=C(C=C2CC1O)OC)OC)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H33NO7/c1-25(2,3)33-24(28)26-18(10-15-8-9-19(29-4)20(11-15)30-5)17-14-22(32-7)21(31-6)12-16(17)13-23(26)27/h8-9,11-12,14,18,23,27H,10,13H2,1-7H3/t18-,23?/m0/s1