[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4CCC=CC4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)[C@H]4CCC=CC4

InChI

InChI=1S/C20H29NO3/c1-13(24-19(23)17-5-3-2-4-6-17)18(22)21-20-10-14-7-15(11-20)9-16(8-14)12-20/h2-3,13-17H,4-12H2,1H3,(H,21,22)/t13-,14?,15?,16?,17-,20?/m1/s1