methyl 4-[[[1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-[(4-chlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(4-chlorobenzoyl)nipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4/c1-29-22(28)17-6-4-15(5-7-17)13-24-20(26)18-3-2-12-25(14-18)21(27)16-8-10-19(23)11-9-16/h4-11,18H,2-3,12-14H2,1H3,(H,24,26)