4-bromanyl-5-[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-bromo-5-[4-[[3-(trifluoromethyl)phenyl]methoxy]-1-piperidyl]benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-[4-[[3-(trifluoromethyl)phenyl]methoxy]-1-piperidinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-bromo-5-[4-[3-(trifluoromethyl)benzyl]oxypiperidino]coumarilic acid Formula: C22H19BrF3NO4 MolecularWeight: 498.28977

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC(=CC=C2)C(F)(F)F)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br

Isomeric SMILES

C1CN(CCC1OCC2=CC(=CC=C2)C(F)(F)F)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br

InChI

InChI=1S/C22H19BrF3NO4/c23-20-16-11-19(21(28)29)31-18(16)5-4-17(20)27-8-6-15(7-9-27)30-12-13-2-1-3-14(10-13)22(24,25)26/h1-5,10-11,15H,6-9,12H2,(H,28,29)