dimethyl 5-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O5/c1-29-19(26)14-11-15(20(27)30-2)13-17(12-14)23-21(28)25-9-7-24(8-10-25)18-5-3-16(22)4-6-18/h3-6,11-13H,7-10H2,1-2H3,(H,23,28)