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

Systemtic Name: tert-butyl 1-[(4-acetamido-3-iodanyl-phenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[(4-acetamido-3-iodo-phenyl)methyl]-6,7-dibenzyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(4-acetamido-3-iodophenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-acetamido-3-iodophenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(4-acetamido-3-iodo-benzyl)-6,7-dibenzoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C37H39IN2O5 MolecularWeight: 718.62043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)OC(C)(C)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)I

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)OC(C)(C)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)I

InChI

InChI=1S/C37H39IN2O5/c1-25(41)39-32-16-15-28(19-31(32)38)20-33-30-22-35(44-24-27-13-9-6-10-14-27)34(43-23-26-11-7-5-8-12-26)21-29(30)17-18-40(33)36(42)45-37(2,3)4/h5-16,19,21-22,33H,17-18,20,23-24H2,1-4H3,(H,39,41)