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

Systemtic Name: tert-butyl 1-[(4-bromophenyl)methoxy]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6,7-dibenzyloxy-1-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(4-bromophenyl)methoxy]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-bromophenyl)methoxy]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6,7-dibenzoxy-1-(4-bromobenzyl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C35H36BrNO5 MolecularWeight: 630.56804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1OCC3=CC=C(C=C3)Br)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1OCC3=CC=C(C=C3)Br)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C35H36BrNO5/c1-35(2,3)42-34(38)37-19-18-28-20-31(39-22-25-10-6-4-7-11-25)32(40-23-26-12-8-5-9-13-26)21-30(28)33(37)41-24-27-14-16-29(36)17-15-27/h4-17,20-21,33H,18-19,22-24H2,1-3H3