[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C20H26N2O4/c1-16-7-5-8-17(13-16)25-12-6-9-19(24)26-14-18(23)22-20(15-21)10-3-2-4-11-20/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,22,23)