[(1S)-2-oxidanylidenecyclohexyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OC2CCCCC2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CN(N=C1C(=O)O[C@H]2CCCCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O4/c1-22-15-11-19(12-7-3-2-4-8-12)18-16(15)17(21)23-14-10-6-5-9-13(14)20/h2-4,7-8,11,14H,5-6,9-10H2,1H3/t14-/m0/s1