[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic 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(=C(C=C1)C)OCCC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4/c1-15-6-7-16(2)17(12-15)25-11-8-19(24)26-13-18(23)22-20(14-21)9-4-3-5-10-20/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,22,23)