[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(2-ethoxyphenoxy)butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(2-ethoxyphenoxy)butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-(2-ethoxyphenoxy)butanoate CAS Name: 4-(2-ethoxyphenoxy)butanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate Traditional Name: 4-(2-ethoxyphenoxy)butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H28N2O5/c1-2-26-17-9-4-5-10-18(17)27-14-8-11-20(25)28-15-19(24)23-21(16-22)12-6-3-7-13-21/h4-5,9-10H,2-3,6-8,11-15H2,1H3,(H,23,24)