dimethyl 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[4-(2-fluorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[4-(2-fluorophenyl)piperazino]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H24FN3O5 MolecularWeight: 429.441463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C22H24FN3O5/c1-30-21(28)15-7-8-16(22(29)31-2)18(13-15)24-20(27)14-25-9-11-26(12-10-25)19-6-4-3-5-17(19)23/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)