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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chloranylphenoxy)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(4-chlorophenoxy)acetate CAS Name: 2-(4-chlorophenoxy)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate Traditional Name: 2-(4-chlorophenoxy)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26ClNO4 MolecularWeight: 391.88844

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO4/c1-13(27-19(24)12-26-18-4-2-17(22)3-5-18)20(25)23-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3,(H,23,25)/t13-,14?,15?,16?,21?/m1/s1