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

Systemtic Name: 3-phenylpropyl 3-(4-ethyl-3-iodanyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C26H32INO2 MolecularWeight: 517.44225

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OCCCC4=CC=CC=C4)N3C)I

Isomeric SMILES

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OCCCC4=CC=CC=C4)N3C)I

InChI

InChI=1S/C26H32INO2/c1-3-19-11-12-20(16-23(19)27)22-17-21-13-14-24(28(21)2)25(22)26(29)30-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,16,21-22,24-25H,3,7,10,13-15,17H2,1-2H3