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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C22H28N2O5/c1-17(25)18-8-10-19(11-9-18)28-14-6-7-21(27)29-15-20(26)24(2)22(16-23)12-4-3-5-13-22/h8-11H,3-7,12-15H2,1-2H3