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

Systemtic Name: 4-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-methyl-5-[4-[3-(trifluoromethyl)benzyl]piperazino]coumarilic acid Formula: C22H21F3N2O3 MolecularWeight: 418.40895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=C(O2)C(=O)O)N3CCN(CC3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC2=C1C=C(O2)C(=O)O)N3CCN(CC3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O3/c1-14-17-12-20(21(28)29)30-19(17)6-5-18(14)27-9-7-26(8-10-27)13-15-3-2-4-16(11-15)22(23,24)25/h2-6,11-12H,7-10,13H2,1H3,(H,28,29)