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

Systemtic Name: dimethyl 5-[(4-cyclohexylcarbonylpiperazin-1-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C(=O)C3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C(=O)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H29N3O6/c1-30-20(27)16-12-17(21(28)31-2)14-18(13-16)23-22(29)25-10-8-24(9-11-25)19(26)15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,23,29)