methyl 4-[4-(2-methoxyphenyl)carbonylpiperazin-1-yl]-3-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-[4-(2-methoxyphenyl)carbonylpiperazin-1-yl]-3-(trifluoromethyl)benzoate Openeye Name: methyl 4-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate CAS Name: 4-[4-[(2-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate Traditional Name: 4-(4-o-anisoylpiperazino)-3-(trifluoromethyl)benzoic acid methyl ester Formula: C21H21F3N2O4 MolecularWeight: 422.39765

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4/c1-29-18-6-4-3-5-15(18)19(27)26-11-9-25(10-12-26)17-8-7-14(20(28)30-2)13-16(17)21(22,23)24/h3-8,13H,9-12H2,1-2H3