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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H23BrN2O5 MolecularWeight: 451.31102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O5/c21-14-1-2-16(24)15(6-14)18(26)28-10-17(25)22-19(27)23-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,11-13,24H,3-5,7-10H2,(H2,22,23,25,27)