[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2,4,5-trimethylfuran-3-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3)C)C

InChI

InChI=1S/C21H29NO4/c1-11-12(2)25-13(3)18(11)20(24)26-14(4)19(23)22-21-8-15-5-16(9-21)7-17(6-15)10-21/h14-17H,5-10H2,1-4H3,(H,22,23)/t14-,15?,16?,17?,21?/m1/s1