[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H24N2O3/c1-13(26-20(25)18-4-2-3-14(8-18)12-22)19(24)23-21-9-15-5-16(10-21)7-17(6-15)11-21/h2-4,8,13,15-17H,5-7,9-11H2,1H3,(H,23,24)/t13-,15?,16?,17?,21?/m1/s1