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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenoxy)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(4-methoxyphenoxy)acetate CAS Name: 2-(4-methoxyphenoxy)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate Traditional Name: 2-(4-methoxyphenoxy)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H29NO5/c1-14(28-20(24)13-27-19-5-3-18(26-2)4-6-19)21(25)23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-13H2,1-2H3,(H,23,25)/t14-,15?,16?,17?,22?/m1/s1