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

Systemtic Name: tert-butyl 1-[(4-benzamido-3-iodanyl-phenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[(4-benzamido-3-iodo-phenyl)methyl]-6,7-dibenzyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(4-benzamido-3-iodophenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-benzamido-3-iodophenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(4-benzamido-3-iodo-benzyl)-6,7-dibenzoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C42H41IN2O5 MolecularWeight: 780.68981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)I)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)I)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C42H41IN2O5/c1-42(2,3)50-41(47)45-22-21-33-25-38(48-27-29-13-7-4-8-14-29)39(49-28-30-15-9-5-10-16-30)26-34(33)37(45)24-31-19-20-36(35(43)23-31)44-40(46)32-17-11-6-12-18-32/h4-20,23,25-26,37H,21-22,24,27-28H2,1-3H3,(H,44,46)