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

Systemtic Name: tert-butyl 1-[(4-bromophenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6,7-dibenzyloxy-1-[(4-bromophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-bromophenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6,7-dibenzoxy-1-(4-bromobenzyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C35H36BrNO4 MolecularWeight: 614.56864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)Br)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)Br)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C35H36BrNO4/c1-35(2,3)41-34(38)37-19-18-28-21-32(39-23-26-10-6-4-7-11-26)33(40-24-27-12-8-5-9-13-27)22-30(28)31(37)20-25-14-16-29(36)17-15-25/h4-17,21-22,31H,18-20,23-24H2,1-3H3