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

Systemtic Name: tert-butyl (1R)-1-[(2-bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (1R)-1-[(2-bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1R)-1-[(2-bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R)-1-[(2-bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1R)-1-(2-bromobenzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC=CC=C3Br)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2[C@H]1CC3=CC=CC=C3Br)OC)OC

InChI

InChI=1S/C23H28BrNO4/c1-23(2,3)29-22(26)25-11-10-15-13-20(27-4)21(28-5)14-17(15)19(25)12-16-8-6-7-9-18(16)24/h6-9,13-14,19H,10-12H2,1-5H3/t19-/m1/s1