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

Systemtic Name: dimethyl 2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[1-[(2-chlorophenyl)methyl]piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[1-[(2-chlorophenyl)methyl]-4-piperidinyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-[(2-chlorophenyl)methyl]piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[1-(2-chlorobenzyl)isonipecotoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C23H25ClN2O5/c1-30-22(28)16-7-8-18(23(29)31-2)20(13-16)25-21(27)15-9-11-26(12-10-15)14-17-5-3-4-6-19(17)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,27)