methyl 1-[[1-(2-phenoxyethanoyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-(2-phenoxyethanoyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-[1-(1-oxo-2-phenoxyethyl)-4-piperidinyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-(2-phenoxyacetyl)isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O5/c1-28-21(27)22(12-6-3-7-13-22)23-20(26)17-10-14-24(15-11-17)19(25)16-29-18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,23,26)