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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)NC2(CCCCC2)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)NC2(CCCCC2)C#N)OC

InChI

InChI=1S/C20H26N2O5/c1-25-16-10-15(11-17(12-16)26-2)6-7-19(24)27-13-18(23)22-20(14-21)8-4-3-5-9-20/h10-12H,3-9,13H2,1-2H3,(H,22,23)