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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [2-(1-adamantyl)-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-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-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-keto-ethyl] ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4/c1-11(2)18-17(12(3)21-25-18)19(23)24-10-16(22)20-7-13-4-14(8-20)6-15(5-13)9-20/h11,13-15H,4-10H2,1-3H3