3-[2-(1-adamantyl)ethanoylamino]-2,4-bis(oxidanyl)benzoic acid

Systemtic Name: 3-[2-(1-adamantyl)ethanoylamino]-2,4-bis(oxidanyl)benzoic acid Openeye Name: 3-[[2-(1-adamantyl)acetyl]amino]-2,4-dihydroxy-benzoic acid CAS Name: 3-[[2-(1-adamantyl)-1-oxoethyl]amino]-2,4-dihydroxybenzoic acid IUPAC Name: 3-[[2-(1-adamantyl)acetyl]amino]-2,4-dihydroxybenzoic acid Traditional Name: 3-[[2-(1-adamantyl)acetyl]amino]-2,4-dihydroxy-benzoic acid Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=C(C=CC(=C4O)C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=C(C=CC(=C4O)C(=O)O)O

InChI

InChI=1S/C19H23NO5/c21-14-2-1-13(18(24)25)17(23)16(14)20-15(22)9-19-6-10-3-11(7-19)5-12(4-10)8-19/h1-2,10-12,21,23H,3-9H2,(H,20,22)(H,24,25)