[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-phenoxypropanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-phenoxypropanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C(C)OC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)[C@H](C)OC4=CC=CC=C4

InChI

InChI=1S/C22H29NO4/c1-14(27-21(25)15(2)26-19-6-4-3-5-7-19)20(24)23-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,14-18H,8-13H2,1-2H3,(H,23,24)/t14-,15+,16?,17?,18?,22?/m1/s1