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

Systemtic Name: tert-butyl 1-[(4-azanyl-3-iodanyl-phenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[(4-amino-3-iodo-phenyl)methyl]-6,7-dibenzyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(4-amino-3-iodophenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-amino-3-iodophenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(4-amino-3-iodo-benzyl)-6,7-dibenzoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C35H37IN2O4 MolecularWeight: 676.58375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H37IN2O4/c1-35(2,3)42-34(39)38-17-16-27-20-32(40-22-24-10-6-4-7-11-24)33(41-23-25-12-8-5-9-13-25)21-28(27)31(38)19-26-14-15-30(37)29(36)18-26/h4-15,18,20-21,31H,16-17,19,22-23,37H2,1-3H3