diethyl 2-[4-(phenylmethyl)piperazin-1-yl]-3-(trifluoromethyl)butanedioate

Systemtic Name: diethyl 2-[4-(phenylmethyl)piperazin-1-yl]-3-(trifluoromethyl)butanedioate Openeye Name: diethyl 2-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)butanedioate CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-3-(trifluoromethyl)butanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)butanedioate Traditional Name: 2-(4-benzylpiperazino)-3-(trifluoromethyl)succinic acid diethyl ester Formula: C20H27F3N2O4 MolecularWeight: 416.43459

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(=O)OCC)N1CCN(CC1)CC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C(C(C(=O)OCC)N1CCN(CC1)CC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C20H27F3N2O4/c1-3-28-18(26)16(20(21,22)23)17(19(27)29-4-2)25-12-10-24(11-13-25)14-15-8-6-5-7-9-15/h5-9,16-17H,3-4,10-14H2,1-2H3