[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-2-phenyl-propanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-2-phenyl-propanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-methyl-2-phenyl-propanoate CAS Name: 2-methyl-2-phenylpropanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate Traditional Name: 2-methyl-2-phenyl-propionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-15(27-21(26)22(2,3)19-7-5-4-6-8-19)20(25)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,15-18H,9-14H2,1-3H3,(H,24,25)/t15-,16?,17?,18?,23?/m1/s1