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

Systemtic Name: (phenylmethyl) 3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: benzyl 3-(4-ethyl-3-iodo-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(4-ethyl-3-iodo-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid benzyl ester Formula: C23H26INO2 MolecularWeight: 475.36251

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OCC4=CC=CC=C4)N3)I

Isomeric SMILES

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OCC4=CC=CC=C4)N3)I

InChI

InChI=1S/C23H26INO2/c1-2-16-8-9-17(12-20(16)24)19-13-18-10-11-21(25-18)22(19)23(26)27-14-15-6-4-3-5-7-15/h3-9,12,18-19,21-22,25H,2,10-11,13-14H2,1H3