[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(2-bromo-4-chloro-phenoxy)acetate CAS Name: 2-(2-bromo-4-chlorophenoxy)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate Traditional Name: 2-(2-bromo-4-chloro-phenoxy)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H23BrClNO4 MolecularWeight: 456.75792

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)COC4=C(C=C(C=C4)Cl)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)COC4=C(C=C(C=C4)Cl)Br

InChI

InChI=1S/C20H23BrClNO4/c21-16-6-15(22)1-2-17(16)26-11-19(25)27-10-18(24)23-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,12-14H,3-5,7-11H2,(H,23,24)