tert-butyl 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-1H-isoquinoline-2-carboxylate CAS Name: 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-1H-isoquinoline-2-carboxylate Traditional Name: 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H33NO8 MolecularWeight: 499.55282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC(=C(C=C2C=C1C3=CC4=C(C=C3CC(OC)OC)OCO4)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC(=C(C=C2C=C1C3=CC4=C(C=C3CC(OC)OC)OCO4)OC)OC

InChI

InChI=1S/C27H33NO8/c1-27(2,3)36-26(29)28-14-18-11-22(31-5)21(30-4)9-16(18)8-20(28)19-13-24-23(34-15-35-24)10-17(19)12-25(32-6)33-7/h8-11,13,25H,12,14-15H2,1-7H3