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

Systemtic Name: dimethyl 5-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-[(4-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[(4-chlorophenyl)methyl]-3-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(4-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(4-chlorobenzyl)nipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCN(C2)CC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCN(C2)CC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C23H25ClN2O5/c1-30-22(28)17-10-18(23(29)31-2)12-20(11-17)25-21(27)16-4-3-9-26(14-16)13-15-5-7-19(24)8-6-15/h5-8,10-12,16H,3-4,9,13-14H2,1-2H3,(H,25,27)