[3-methyl-1-(phenylmethyl)-4-[6-(trifluoromethyl)-1-benzofuran-7-yl]piperidin-4-yl] 2-oxidanylidenepropanoate

Systemtic Name: [3-methyl-1-(phenylmethyl)-4-[6-(trifluoromethyl)-1-benzofuran-7-yl]piperidin-4-yl] 2-oxidanylidenepropanoate Openeye Name: [1-benzyl-3-methyl-4-[6-(trifluoromethyl)benzofuran-7-yl]-4-piperidyl] 2-oxopropanoate CAS Name: 2-oxopropanoic acid [3-methyl-1-(phenylmethyl)-4-[6-(trifluoromethyl)-7-benzofuranyl]-4-piperidinyl] ester IUPAC Name: [1-benzyl-3-methyl-4-[6-(trifluoromethyl)-1-benzofuran-7-yl]piperidin-4-yl] 2-oxopropanoate Traditional Name: 2-ketopropionic acid [1-benzyl-3-methyl-4-[6-(trifluoromethyl)benzofuran-7-yl]-4-piperidyl] ester Formula: C25H24F3NO4 MolecularWeight: 459.45757

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C2=C(C=CC3=C2OC=C3)C(F)(F)F)OC(=O)C(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCC1(C2=C(C=CC3=C2OC=C3)C(F)(F)F)OC(=O)C(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H24F3NO4/c1-16-14-29(15-18-6-4-3-5-7-18)12-11-24(16,33-23(31)17(2)30)21-20(25(26,27)28)9-8-19-10-13-32-22(19)21/h3-10,13,16H,11-12,14-15H2,1-2H3