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4-[2-methoxycarbonyl-6-(trifluoromethyl)-1-benzothiophen-3-yl]piperidine-1-carboxylic acid

4-[2-methoxycarbonyl-6-(trifluoromethyl)-1-benzothiophen-3-yl]piperidine-1-carboxylic acid

Systemtic Name:4-[2-methoxycarbonyl-6-(trifluoromethyl)-1-benzothiophen-3-yl]piperidine-1-carboxylic acid
Openeye Name:4-[2-methoxycarbonyl-6-(trifluoromethyl)benzothiophen-3-yl]piperidine-1-carboxylic acid
CAS Name:4-[2-methoxycarbonyl-6-(trifluoromethyl)-1-benzothiophen-3-yl]-1-piperidinecarboxylic acid
IUPAC Name:4-[2-methoxycarbonyl-6-(trifluoromethyl)-1-benzothiophen-3-yl]piperidine-1-carboxylic acid
Traditional Name:4-[2-carbomethoxy-6-(trifluoromethyl)benzothiophen-3-yl]piperidine-1-carboxylic acid
Formula: C17H16F3NO4S
MolecularWeight: 387.37345
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)C(F)(F)F)C3CCN(CC3)C(=O)O


Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)C(F)(F)F)C3CCN(CC3)C(=O)O


InChI

InChI=1S/C17H16F3NO4S/c1-25-15(22)14-13(9-4-6-21(7-5-9)16(23)24)11-3-2-10(17(18,19)20)8-12(11)26-14/h2-3,8-9H,4-7H2,1H3,(H,23,24)


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