dimethyl 2-[[1-(3-chlorophenyl)piperidin-4-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[1-(3-chlorophenyl)piperidin-4-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[1-(3-chlorophenyl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[1-(3-chlorophenyl)-4-piperidinyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-(3-chlorophenyl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[1-(3-chlorophenyl)isonipecotoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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