2-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[[4-[6-(trifluoromethyl)benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropanecarboxylic acid CAS Name: 2-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]-1-piperazinyl]methyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[[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:

C1CN(CCN1CC2CC2C(=O)O)C3=CSC4=C3C=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2CC2C(=O)O)C3=CSC4=C3C=CC(=C4)C(F)(F)F

InChI

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