[(1S)-2-oxidanylidenecyclohexyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC3CCCCC3=O

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C17H18N2O3/c1-12-10-11-18-19(12)14-8-6-13(7-9-14)17(21)22-16-5-3-2-4-15(16)20/h6-11,16H,2-5H2,1H3/t16-/m0/s1