1-[(3-iodanyl-4-methyl-phenyl)methyl]-6,7-bis(phenylmethoxy)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[(3-iodanyl-4-methyl-phenyl)methyl]-6,7-bis(phenylmethoxy)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6,7-dibenzyloxy-1-[(3-iodo-4-methyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[(3-iodo-4-methylphenyl)methyl]-6,7-bis(phenylmethoxy)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[(3-iodo-4-methylphenyl)methyl]-6,7-bis(phenylmethoxy)-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6,7-dibenzoxy-1-(3-iodo-4-methyl-benzyl)-1,2,3,4-tetrahydroisoquinoline Formula: C31H30INO2 MolecularWeight: 575.47987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)I

Isomeric SMILES

CC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)I

InChI

InChI=1S/C31H30INO2/c1-22-12-13-25(16-28(22)32)17-29-27-19-31(35-21-24-10-6-3-7-11-24)30(18-26(27)14-15-33-29)34-20-23-8-4-2-5-9-23/h2-13,16,18-19,29,33H,14-15,17,20-21H2,1H3