methyl 4-[4-(phenylmethyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-[4-(phenylmethyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)benzoate CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)benzoate Traditional Name: 4-(4-benzylpiperazino)-3-(trifluoromethyl)benzoic acid methyl ester Formula: C20H21F3N2O2 MolecularWeight: 378.38815

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O2/c1-27-19(26)16-7-8-18(17(13-16)20(21,22)23)25-11-9-24(10-12-25)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3