[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-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=C(C=C(C=C1)CCC(=O)OCC(=O)NC2(CCCCC2)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5/c1-25-16-8-6-15(12-17(16)26-2)7-9-19(24)27-13-18(23)22-20(14-21)10-4-3-5-11-20/h6,8,12H,3-5,7,9-11,13H2,1-2H3,(H,22,23)