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

Systemtic Name: dimethyl 5-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(4-fluorobenzyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H24FN3O5 MolecularWeight: 429.441463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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