(4-cyclohexylphenyl) (E)-3-[5-chloranyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-cyclohexylphenyl) (E)-3-[5-chloranyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyclohexylphenyl) (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-4-pyrazolyl]-2-propenoic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acrylic acid (4-cyclohexylphenyl) ester Formula: C20H20ClF3N2O2 MolecularWeight: 412.83321

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C=CC(=O)OC2=CC=C(C=C2)C3CCCCC3)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)/C=C/C(=O)OC2=CC=C(C=C2)C3CCCCC3)Cl

InChI

InChI=1S/C20H20ClF3N2O2/c1-26-19(21)16(18(25-26)20(22,23)24)11-12-17(27)28-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13H,2-6H2,1H3/b12-11+