tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinoline-2-carboxylate CAS Name: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinoline-2-carboxylate Traditional Name: (1S)-3-keto-6,7-dimethoxy-1-veratryl-1,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H31NO7 MolecularWeight: 457.51614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C2=CC(=C(C=C2CC1=O)OC)OC)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](C2=CC(=C(C=C2CC1=O)OC)OC)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H31NO7/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/h8-9,11-12,14,18H,10,13H2,1-7H3/t18-/m0/s1