[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H27ClN2O5 MolecularWeight: 422.90248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2(CCCCC2)C#N)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2(CCCCC2)C#N)OC

InChI

InChI=1S/C21H27ClN2O5/c1-14(2)11-28-19-16(22)9-15(10-17(19)27-3)20(26)29-12-18(25)24-21(13-23)7-5-4-6-8-21/h9-10,14H,4-8,11-12H2,1-3H3,(H,24,25)