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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-(1-adamantylmethylamino)-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-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-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-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C)C#N

InChI

InChI=1S/C24H31N3O4/c1-14-19(15(2)27-23(30)20(14)11-25)3-4-22(29)31-12-21(28)26-13-24-8-16-5-17(9-24)7-18(6-16)10-24/h16-18H,3-10,12-13H2,1-2H3,(H,26,28)(H,27,30)