ethyl (5S)-5-oxidanyl-5-(4-pentylphenyl)-3-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: ethyl (5S)-5-oxidanyl-5-(4-pentylphenyl)-3-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: ethyl (5S)-5-hydroxy-5-(4-pentylphenyl)-3-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: (5S)-5-hydroxy-5-(4-pentylphenyl)-3-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-5-hydroxy-5-(4-pentylphenyl)-3-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: (5S)-5-(4-amylphenyl)-5-hydroxy-3-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid ethyl ester Formula: C18H23F3N2O3 MolecularWeight: 372.38203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2(CC(=NN2C(=O)OCC)C(F)(F)F)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)[C@]2(CC(=NN2C(=O)OCC)C(F)(F)F)O

InChI

InChI=1S/C18H23F3N2O3/c1-3-5-6-7-13-8-10-14(11-9-13)17(25)12-15(18(19,20)21)22-23(17)16(24)26-4-2/h8-11,25H,3-7,12H2,1-2H3/t17-/m0/s1