(1S,3R)-5-iodanyl-1,2,3-trimethyl-6,8-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline

Systemtic Name: (1S,3R)-5-iodanyl-1,2,3-trimethyl-6,8-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline Openeye Name: (1S,3R)-6,8-dibenzyloxy-5-iodo-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline CAS Name: (1S,3R)-5-iodo-1,2,3-trimethyl-6,8-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline IUPAC Name: (1S,3R)-5-iodo-1,2,3-trimethyl-6,8-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline Traditional Name: (1S,3R)-6,8-dibenzoxy-5-iodo-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline Formula: C26H28INO2 MolecularWeight: 513.41049

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(N1C)C)C(=CC(=C2I)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC2=C([C@@H](N1C)C)C(=CC(=C2I)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28INO2/c1-18-14-22-25(19(2)28(18)3)23(29-16-20-10-6-4-7-11-20)15-24(26(22)27)30-17-21-12-8-5-9-13-21/h4-13,15,18-19H,14,16-17H2,1-3H3/t18-,19+/m1/s1