[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-propanoylphenoxy)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-propanoylphenoxy)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31NO5/c1-3-21(26)19-4-6-20(7-5-19)29-14-22(27)30-15(2)23(28)25-24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,15-18H,3,8-14H2,1-2H3,(H,25,28)/t15-,16?,17?,18?,24?/m1/s1