3-hex-3-enyl-5-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-hex-3-enyl-5-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-hex-3-enyl-5-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-hex-3-enyl-5-propyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-hex-3-enyl-5-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-hex-3-enyl-5-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C20H23F3N2O2 MolecularWeight: 380.40403

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CCC=CCC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CCC=CCC)C(=O)O

InChI

InChI=1S/C20H23F3N2O2/c1-3-5-6-7-12-15-18(19(26)27)17(10-4-2)25(24-15)16-13-9-8-11-14(16)20(21,22)23/h5-6,8-9,11,13H,3-4,7,10,12H2,1-2H3,(H,26,27)