ethyl 1-(3-methylthiophen-2-yl)carbonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-methylthiophen-2-yl)carbonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3-methylthiophene-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[(3-methyl-2-thiophenyl)-oxomethyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylthiophene-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(3-methylthiophene-2-carbonyl)-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C22H24F3NO3S MolecularWeight: 439.49107

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(C=CS2)C)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(C=CS2)C)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H24F3NO3S/c1-3-29-20(28)21(14-16-5-4-6-17(13-16)22(23,24)25)8-10-26(11-9-21)19(27)18-15(2)7-12-30-18/h4-7,12-13H,3,8-11,14H2,1-2H3