[(1R,2S,4R)-4-azido-2-(6-chloranylpyridin-3-yl)cyclohexyl] benzoate

Systemtic Name: [(1R,2S,4R)-4-azido-2-(6-chloranylpyridin-3-yl)cyclohexyl] benzoate Openeye Name: [(1R,2S,4R)-4-azido-2-(6-chloro-3-pyridyl)cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,4R)-4-azido-2-(6-chloro-3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S,4R)-4-azido-2-(6-chloropyridin-3-yl)cyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,4R)-4-azido-2-(6-chloro-3-pyridyl)cyclohexyl] ester Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1N=[N+]=[N-])C2=CN=C(C=C2)Cl)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([C@@H](C[C@@H]1N=[N+]=[N-])C2=CN=C(C=C2)Cl)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17ClN4O2/c19-17-9-6-13(11-21-17)15-10-14(22-23-20)7-8-16(15)25-18(24)12-4-2-1-3-5-12/h1-6,9,11,14-16H,7-8,10H2/t14-,15+,16-/m1/s1