[(1S,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] benzoate

Systemtic Name: [(1S,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] benzoate Openeye Name: [(1S,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R)-2-(3,5-dimethyl-1-pyrazolyl)cyclohexyl] ester IUPAC Name: [(1S,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] ester Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2CCCCC2OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1[C@@H]2CCCC[C@@H]2OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H22N2O2/c1-13-12-14(2)20(19-13)16-10-6-7-11-17(16)22-18(21)15-8-4-3-5-9-15/h3-5,8-9,12,16-17H,6-7,10-11H2,1-2H3/t16-,17+/m1/s1