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

Systemtic Name: tert-butyl 1-[(3-iodanyl-4-methyl-phenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6,7-dibenzyloxy-1-[(3-iodo-4-methyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(3-iodo-4-methylphenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(3-iodo-4-methylphenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6,7-dibenzoxy-1-(3-iodo-4-methyl-benzyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C36H38INO4 MolecularWeight: 675.59569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C36H38INO4/c1-25-15-16-28(19-31(25)37)20-32-30-22-34(41-24-27-13-9-6-10-14-27)33(40-23-26-11-7-5-8-12-26)21-29(30)17-18-38(32)35(39)42-36(2,3)4/h5-16,19,21-22,32H,17-18,20,23-24H2,1-4H3