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

Systemtic Name: tert-butyl 1-[(4-bromophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[(4-bromophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-bromophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(4-bromobenzyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1CC3=CC=C(C=C3)Br)C=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1CC3=CC=C(C=C3)Br)C=C(C=C2)OC

InChI

InChI=1S/C22H26BrNO3/c1-22(2,3)27-21(25)24-12-11-16-7-10-18(26-4)14-19(16)20(24)13-15-5-8-17(23)9-6-15/h5-10,14,20H,11-13H2,1-4H3