(phenylmethyl) 3-(4-ethyl-3-iodanyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: (phenylmethyl) 3-(4-ethyl-3-iodanyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: benzyl 3-(4-ethyl-3-iodo-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-ethyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(4-ethyl-3-iodo-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid benzyl ester Formula: C24H28INO2 MolecularWeight: 489.38909

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OCC4=CC=CC=C4)N3C)I

Isomeric SMILES

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OCC4=CC=CC=C4)N3C)I

InChI

InChI=1S/C24H28INO2/c1-3-17-9-10-18(13-21(17)25)20-14-19-11-12-22(26(19)2)23(20)24(27)28-15-16-7-5-4-6-8-16/h4-10,13,19-20,22-23H,3,11-12,14-15H2,1-2H3