[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C19H22BrNO4 MolecularWeight: 408.28628

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C19H22BrNO4/c20-14-1-2-16(22)15(8-14)19(24)25-9-17(23)21-18-12-4-10-3-11(6-12)7-13(18)5-10/h1-2,8,10-13,18,22H,3-7,9H2,(H,21,23)