[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H23NO6 MolecularWeight: 361.38902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6/c21-14-4-13(5-15(22)17(14)24)18(25)26-9-16(23)20-19-6-10-1-11(7-19)3-12(2-10)8-19/h4-5,10-12,21-22,24H,1-3,6-9H2,(H,20,23)