[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC(=O)N2CCCCCC2)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC(=O)N2CCCCCC2)C)C#N

InChI

InChI=1S/C19H25N3O4/c1-13-15(14(2)21-19(25)16(13)11-20)7-8-18(24)26-12-17(23)22-9-5-3-4-6-10-22/h3-10,12H2,1-2H3,(H,21,25)