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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (3R)-3-phenylbutanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric 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(CC(=O)OC(C)C(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-15(20-6-4-3-5-7-20)8-21(25)27-16(2)22(26)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h3-7,15-19H,8-14H2,1-2H3,(H,24,26)/t15-,16-,17?,18?,19?,23?/m1/s1