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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)Br

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H26BrNO3/c1-13(26-19(24)9-14-2-4-18(22)5-3-14)20(25)23-21-10-15-6-16(11-21)8-17(7-15)12-21/h2-5,13,15-17H,6-12H2,1H3,(H,23,25)/t13-,15?,16?,17?,21?/m1/s1