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

Systemtic Name: [(1S,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] 3-phenylpropanoate Openeye Name: [(1S,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(1S,2R)-2-(3,5-dimethyl-1-pyrazolyl)cyclohexyl] ester IUPAC Name: [(1S,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(1S,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] ester Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2CCCCC2OC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1[C@@H]2CCCC[C@@H]2OC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C20H26N2O2/c1-15-14-16(2)22(21-15)18-10-6-7-11-19(18)24-20(23)13-12-17-8-4-3-5-9-17/h3-5,8-9,14,18-19H,6-7,10-13H2,1-2H3/t18-,19+/m1/s1