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

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-(4-benzyl-1-piperidyl)-1-methyl-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 [1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 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-(4-benzylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)C)C#N

InChI

InChI=1S/C26H31N3O4/c1-17-22(18(2)28-25(31)23(17)16-27)9-10-24(30)33-19(3)26(32)29-13-11-21(12-14-29)15-20-7-5-4-6-8-20/h4-8,19,21H,9-15H2,1-3H3,(H,28,31)