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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)NC2(CCCC2)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)NC2(CCCC2)C#N)OC

InChI

InChI=1S/C19H24N2O5/c1-24-15-9-14(10-16(11-15)25-2)5-6-18(23)26-12-17(22)21-19(13-20)7-3-4-8-19/h9-11H,3-8,12H2,1-2H3,(H,21,22)