[(1R,2S)-2-phenylcyclohexyl] (1R,5S)-4-bromanyl-6-azabicyclo[3.3.1]non-3-ene-6-carboxylate

Systemtic Name: [(1R,2S)-2-phenylcyclohexyl] (1R,5S)-4-bromanyl-6-azabicyclo[3.3.1]non-3-ene-6-carboxylate Openeye Name: [(1R,2S)-2-phenylcyclohexyl] (1R,5S)-4-bromo-6-azabicyclo[3.3.1]non-3-ene-6-carboxylate CAS Name: (1R,5S)-4-bromo-6-azabicyclo[3.3.1]non-3-ene-6-carboxylic acid [(1R,2S)-2-phenylcyclohexyl] ester IUPAC Name: [(1R,2S)-2-phenylcyclohexyl] (1R,5S)-4-bromo-6-azabicyclo[3.3.1]non-3-ene-6-carboxylate Traditional Name: (1R,5S)-4-bromo-6-azabicyclo[3.3.1]non-3-ene-6-carboxylic acid [(1R,2S)-2-phenylcyclohexyl] ester Formula: C21H26BrNO2 MolecularWeight: 404.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=CC=C2)OC(=O)N3CCC4CC=C(C3C4)Br

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C2=CC=CC=C2)OC(=O)N3CC[C@H]4CC=C([C@@H]3C4)Br

InChI

InChI=1S/C21H26BrNO2/c22-18-11-10-15-12-13-23(19(18)14-15)21(24)25-20-9-5-4-8-17(20)16-6-2-1-3-7-16/h1-3,6-7,11,15,17,19-20H,4-5,8-10,12-14H2/t15-,17+,19+,20-/m1/s1