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

Systemtic Name: 4-bromanyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-bromo-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-bromo-5-[4-[3-(trifluoromethyl)benzyl]piperazino]coumarilic acid Formula: C21H18BrF3N2O3 MolecularWeight: 483.27843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br

InChI

InChI=1S/C21H18BrF3N2O3/c22-19-15-11-18(20(28)29)30-17(15)5-4-16(19)27-8-6-26(7-9-27)12-13-2-1-3-14(10-13)21(23,24)25/h1-5,10-11H,6-9,12H2,(H,28,29)