[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C(C)C

InChI

InChI=1S/C23H31N3O4/c1-14(2)21-20(15(3)25-30-21)22(28)29-13-19(27)26(6-4-5-24)23-10-16-7-17(11-23)9-18(8-16)12-23/h14,16-18H,4,6-13H2,1-3H3