[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methoxyphenoxy)butanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methoxyphenoxy)butanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-(4-methoxyphenoxy)butanoate CAS Name: 4-(4-methoxyphenoxy)butanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate Traditional Name: 4-(4-methoxyphenoxy)butyric acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H33NO5 MolecularWeight: 415.52252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCCOC4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H33NO5/c1-16(23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24)30-22(26)4-3-9-29-21-7-5-20(28-2)6-8-21/h5-8,16-19H,3-4,9-15H2,1-2H3,(H,25,27)/t16-,17?,18?,19?,24?/m1/s1