[(3S,4R)-4-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4-iodanylbenzoate

Systemtic Name: [(3S,4R)-4-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4-iodanylbenzoate Openeye Name: [(3S,4R)-8-methyl-4-vinyl-8-azabicyclo[3.2.1]octan-3-yl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [(3S,4R)-4-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(3S,4R)-4-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [(3S,4R)-8-methyl-4-vinyl-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C17H20INO2 MolecularWeight: 397.25067

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OC(=O)C3=CC=C(C=C3)I)C=C

Isomeric SMILES

CN1C2CCC1[C@H]([C@H](C2)OC(=O)C3=CC=C(C=C3)I)C=C

InChI

InChI=1S/C17H20INO2/c1-3-14-15-9-8-13(19(15)2)10-16(14)21-17(20)11-4-6-12(18)7-5-11/h3-7,13-16H,1,8-10H2,2H3/t13?,14-,15?,16+/m1/s1