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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2R)-2-phenoxybutanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4/c1-3-20(28-19-7-5-4-6-8-19)22(26)27-15(2)21(25)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,15-18,20H,3,9-14H2,1-2H3,(H,24,25)/t15-,16?,17?,18?,20-,23?/m1/s1