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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-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=C(C=C(C=C1)CCC(=O)OCC(=O)NC2(CCCC2)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O5/c1-24-15-7-5-14(11-16(15)25-2)6-8-18(23)26-12-17(22)21-19(13-20)9-3-4-10-19/h5,7,11H,3-4,6,8-10,12H2,1-2H3,(H,21,22)