[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H24BrNO4 MolecularWeight: 422.31286

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C20H24BrNO4/c21-15-1-2-17(23)16(6-15)19(25)26-10-18(24)22-11-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,12-14,23H,3-5,7-11H2,(H,22,24)