(2-oxidanylidenecyclohexyl) 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: (2-oxidanylidenecyclohexyl) 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: (2-oxocyclohexyl) 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid (2-ketocyclohexyl) ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

C1CCC(=O)C(C1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C17H18N2O3/c20-15-4-1-2-5-16(15)22-17(21)14-8-6-13(7-9-14)12-19-11-3-10-18-19/h3,6-11,16H,1-2,4-5,12H2