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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-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-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C(C)C

InChI

InChI=1S/C21H30N2O4/c1-12(2)19-18(13(3)23-27-19)20(25)26-10-17(24)22-11-21-7-14-4-15(8-21)6-16(5-14)9-21/h12,14-16H,4-11H2,1-3H3,(H,22,24)