[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3,4-dimethylbenzoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3,4-dimethylbenzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H29NO3/c1-13-4-5-19(6-14(13)2)21(25)26-15(3)20(24)23-22-10-16-7-17(11-22)9-18(8-16)12-22/h4-6,15-18H,7-12H2,1-3H3,(H,23,24)/t15-,16?,17?,18?,22?/m1/s1