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

Systemtic Name: dimethyl 5-[[1-(3-chlorophenyl)piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(3-chlorophenyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(3-chlorophenyl)-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(3-chlorophenyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(3-chlorophenyl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H23ClN2O5/c1-29-21(27)15-10-16(22(28)30-2)12-18(11-15)24-20(26)14-6-8-25(9-7-14)19-5-3-4-17(23)13-19/h3-5,10-14H,6-9H2,1-2H3,(H,24,26)