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

Systemtic Name: phenethyl 3-(4-ethyl-3-iodanyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C25H30INO2 MolecularWeight: 503.41567

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OCCC4=CC=CC=C4)N3C)I

Isomeric SMILES

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OCCC4=CC=CC=C4)N3C)I

InChI

InChI=1S/C25H30INO2/c1-3-18-9-10-19(15-22(18)26)21-16-20-11-12-23(27(20)2)24(21)25(28)29-14-13-17-7-5-4-6-8-17/h4-10,15,20-21,23-24H,3,11-14,16H2,1-2H3