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

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-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 [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-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 [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OC(C)C(=O)NCC2CCCCC2)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)O[C@H](C)C(=O)NCC2CCCCC2)C)C#N

InChI

InChI=1S/C21H29N3O4/c1-13-17(14(2)24-21(27)18(13)11-22)9-10-19(25)28-15(3)20(26)23-12-16-7-5-4-6-8-16/h15-16H,4-10,12H2,1-3H3,(H,23,26)(H,24,27)/t15-/m1/s1