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

Systemtic Name: methyl 1-[[1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-[(4-chlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-(4-chlorobenzoyl)nipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN2O4/c1-28-20(27)21(11-3-2-4-12-21)23-18(25)16-6-5-13-24(14-16)19(26)15-7-9-17(22)10-8-15/h7-10,16H,2-6,11-14H2,1H3,(H,23,25)