1-(3,5-dimethylpyrazol-1-yl)carbonyl-4-methyl-6-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: 1-(3,5-dimethylpyrazol-1-yl)carbonyl-4-methyl-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: 1-(3,5-dimethylpyrazole-1-carbonyl)-4-methyl-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: 1-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-4-methyl-6-phenyl-1-cyclohex-3-enecarboxylate IUPAC Name: 1-(3,5-dimethylpyrazole-1-carbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: 1-(3,5-dimethylpyrazole-1-carbonyl)-4-methyl-6-phenyl-cyclohex-3-ene-1-carboxylate Formula: C20H21N2O3- MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C2=CC=CC=C2)(C(=O)N3C(=CC(=N3)C)C)C(=O)[O-]

Isomeric SMILES

CC1=CCC(C(C1)C2=CC=CC=C2)(C(=O)N3C(=CC(=N3)C)C)C(=O)[O-]

InChI

InChI=1S/C20H22N2O3/c1-13-9-10-20(19(24)25,17(11-13)16-7-5-4-6-8-16)18(23)22-15(3)12-14(2)21-22/h4-9,12,17H,10-11H2,1-3H3,(H,24,25)/p-1