1-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[[4-[6-(trifluoromethyl)benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropanecarboxylic acid CAS Name: 1-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]-1-piperazinyl]methyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid Traditional Name: 1-[[4-[6-(trifluoromethyl)benzothiophen-3-yl]piperazino]methyl]cyclopropanecarboxylic acid Formula: C18H19F3N2O2S MolecularWeight: 384.41587

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CN2CCN(CC2)C3=CSC4=C3C=CC(=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC1(CN2CCN(CC2)C3=CSC4=C3C=CC(=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H19F3N2O2S/c19-18(20,21)12-1-2-13-14(10-26-15(13)9-12)23-7-5-22(6-8-23)11-17(3-4-17)16(24)25/h1-2,9-10H,3-8,11H2,(H,24,25)