[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 1-(3-chlorophenyl)cyclohexanecarboxylate CAS Name: 1-(3-chlorophenyl)-1-cyclohexanecarboxylic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate Traditional Name: 1-(3-chlorophenyl)cyclohexanecarboxylic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2(CCCCC2)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2(CCCCC2)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C21H24ClN3O5/c1-28-17-12-18(29-2)25-20(24-17)23-16(26)13-30-19(27)21(9-4-3-5-10-21)14-7-6-8-15(22)11-14/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H,23,24,25,26)