3-[1-(phenylmethyl)piperidin-4-yl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[1-(phenylmethyl)piperidin-4-yl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(1-benzyl-4-piperidyl)-6-(trifluoromethyl)benzothiophene-2-carboxylic acid CAS Name: 3-[1-(phenylmethyl)-4-piperidinyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(1-benzylpiperidin-4-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(1-benzyl-4-piperidyl)-6-(trifluoromethyl)benzothiophene-2-carboxylic acid Formula: C22H20F3NO2S MolecularWeight: 419.45991

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(SC3=C2C=CC(=C3)C(F)(F)F)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=C(SC3=C2C=CC(=C3)C(F)(F)F)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C22H20F3NO2S/c23-22(24,25)16-6-7-17-18(12-16)29-20(21(27)28)19(17)15-8-10-26(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,27,28)