methyl 4-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamoyl]benzoate CAS Name: 4-[oxo-[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]benzoate Traditional Name: 4-[[2-piperidino-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid methyl ester Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3

InChI

InChI=1S/C21H21F3N2O3/c1-29-20(28)15-7-5-14(6-8-15)19(27)25-17-13-16(21(22,23)24)9-10-18(17)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12H2,1H3,(H,25,27)