[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H28BrNO4 MolecularWeight: 450.36602

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCCOC4=CC(=CC=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H28BrNO4/c23-18-3-1-4-19(10-18)27-6-2-5-21(26)28-14-20(25)24-22-11-15-7-16(12-22)9-17(8-15)13-22/h1,3-4,10,15-17H,2,5-9,11-14H2,(H,24,25)