3-[[4-(1-adamantyloxy)-3-oxidanylidene-butanoyl]amino]benzoic acid

Systemtic Name: 3-[[4-(1-adamantyloxy)-3-oxidanylidene-butanoyl]amino]benzoic acid Openeye Name: 3-[[4-(1-adamantyloxy)-3-oxo-butanoyl]amino]benzoic acid CAS Name: 3-[[4-(1-adamantyloxy)-1,3-dioxobutyl]amino]benzoic acid IUPAC Name: 3-[[4-(1-adamantyloxy)-3-oxobutanoyl]amino]benzoic acid Traditional Name: 3-[[4-(1-adamantyloxy)-3-keto-butanoyl]amino]benzoic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCC(=O)CC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OCC(=O)CC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H25NO5/c23-18(8-19(24)22-17-3-1-2-16(7-17)20(25)26)12-27-21-9-13-4-14(10-21)6-15(5-13)11-21/h1-3,7,13-15H,4-6,8-12H2,(H,22,24)(H,25,26)