1-[(5-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-methyl-2-thienyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-methyl-2-thiophenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-methyl-2-thienyl)-[4-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C19H20F3NO2S MolecularWeight: 383.42781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H20F3NO2S/c1-12-4-9-16(26-12)17(23-10-2-3-14(11-23)18(24)25)13-5-7-15(8-6-13)19(20,21)22/h4-9,14,17H,2-3,10-11H2,1H3,(H,24,25)