tert-butyl 1-[(2-bromanyl-5-methoxy-phenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[(2-bromanyl-5-methoxy-phenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[(2-bromo-5-methoxy-phenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-bromo-5-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(2-bromo-5-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-bromo-5-methoxy-benzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H30BrNO5 MolecularWeight: 492.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC3=C(C=CC(=C3)OC)Br)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC3=C(C=CC(=C3)OC)Br)OC)OC

InChI

InChI=1S/C24H30BrNO5/c1-24(2,3)31-23(27)26-10-9-15-13-21(29-5)22(30-6)14-18(15)20(26)12-16-11-17(28-4)7-8-19(16)25/h7-8,11,13-14,20H,9-10,12H2,1-6H3