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

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 3-ethyl-5-methyl-isoxazole-4-carboxylate CAS Name: 3-ethyl-5-methyl-4-isoxazolecarboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-ethyl-5-methyl-isoxazole-4-carboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H29N3O4/c1-3-18-20(14(2)29-24-18)21(27)28-13-19(26)25(6-4-5-23)22-10-15-7-16(11-22)9-17(8-15)12-22/h15-17H,3-4,6-13H2,1-2H3