methyl (1R,3S)-3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1R,3S)-3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1R,3S)-3-(4-ethyl-3-iodo-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1R,3S)-3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1R,3S)-3-(4-ethyl-3-iodo-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C17H22INO2 MolecularWeight: 399.26655

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OC)N3)I

Isomeric SMILES

CCC1=C(C=C(C=C1)[C@H]2C[C@H]3CCC(C2C(=O)OC)N3)I

InChI

InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3/t12-,13-,15?,16?/m1/s1