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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCC=CCCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=CC=C2C(F)(F)F

InChI

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