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

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-[benzyl(ethyl)amino]-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-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-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-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C

InChI

InChI=1S/C22H25N3O4/c1-4-25(13-17-8-6-5-7-9-17)20(26)14-29-21(27)11-10-18-15(2)19(12-23)22(28)24-16(18)3/h5-9H,4,10-11,13-14H2,1-3H3,(H,24,28)