diethyl 5-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(4-chlorobenzoyl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C25H27ClN2O6 MolecularWeight: 486.94468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C25H27ClN2O6/c1-3-33-24(31)18-13-19(25(32)34-4-2)15-21(14-18)27-22(29)16-9-11-28(12-10-16)23(30)17-5-7-20(26)8-6-17/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,27,29)