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

Systemtic Name: dimethyl 5-[[(3S)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(3S)-1-(4-chlorobenzoyl)nipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H23ClN2O6 MolecularWeight: 458.89152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C23H23ClN2O6/c1-31-22(29)16-10-17(23(30)32-2)12-19(11-16)25-20(27)15-4-3-9-26(13-15)21(28)14-5-7-18(24)8-6-14/h5-8,10-12,15H,3-4,9,13H2,1-2H3,(H,25,27)/t15-/m0/s1