[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(2,4-dihydroxyphenyl)-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(2,4-dihydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-(2,4-dihydroxyphenyl)-2-keto-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC(=O)C4=C(C=C(C=C4)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC(=O)C4=C(C=C(C=C4)O)O

InChI

InChI=1S/C22H27NO6/c24-16-1-2-17(18(25)8-16)19(26)12-29-20(27)3-4-23-21(28)22-9-13-5-14(10-22)7-15(6-13)11-22/h1-2,8,13-15,24-25H,3-7,9-12H2,(H,23,28)