1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]pyridin-2-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]pyridin-2-yl]piperidine-3-carboxylic acid Openeye Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]-2-pyridyl]piperidine-3-carboxylic acid CAS Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]pyridin-2-yl]piperidine-3-carboxylic acid Traditional Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-(trifluoromethyl)phenyl]-2-pyridyl]nipecotic acid Formula: C26H23F3N2O4S MolecularWeight: 516.53203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC(=C2)C3=CC(=C(C=C3)SC4=CC5=C(C=C4)OCCO5)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=NC=CC(=C2)C3=CC(=C(C=C3)SC4=CC5=C(C=C4)OCCO5)C(F)(F)F)C(=O)O

InChI

InChI=1S/C26H23F3N2O4S/c27-26(28,29)20-12-16(3-6-23(20)36-19-4-5-21-22(14-19)35-11-10-34-21)17-7-8-30-24(13-17)31-9-1-2-18(15-31)25(32)33/h3-8,12-14,18H,1-2,9-11,15H2,(H,32,33)