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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C22H28N2O5/c1-2-14-28-18-8-6-17(7-9-18)19(25)10-11-21(27)29-15-20(26)24-22(16-23)12-4-3-5-13-22/h6-9H,2-5,10-15H2,1H3,(H,24,26)