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

Systemtic Name: [(1R,2S,4S)-2-(6-chloranylpyridin-3-yl)-4-oxidanyl-cyclohexyl] benzoate Openeye Name: [(1R,2S,4S)-2-(6-chloro-3-pyridyl)-4-hydroxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,4S)-2-(6-chloro-3-pyridinyl)-4-hydroxycyclohexyl] ester IUPAC Name: [(1R,2S,4S)-2-(6-chloropyridin-3-yl)-4-hydroxycyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,4S)-2-(6-chloro-3-pyridyl)-4-hydroxy-cyclohexyl] ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1O)C2=CN=C(C=C2)Cl)OC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO3/c19-17-9-6-13(11-20-17)15-10-14(21)7-8-16(15)23-18(22)12-4-2-1-3-5-12/h1-6,9,11,14-16,21H,7-8,10H2/t14-,15-,16+/m0/s1