3-[[(2E)-4-(1-adamantyloxy)-2-hydroxyimino-3-oxidanylidene-butanoyl]amino]benzoic acid

Systemtic Name: 3-[[(2E)-4-(1-adamantyloxy)-2-hydroxyimino-3-oxidanylidene-butanoyl]amino]benzoic acid Openeye Name: 3-[[(2E)-4-(1-adamantyloxy)-2-hydroxyimino-3-oxo-butanoyl]amino]benzoic acid CAS Name: 3-[[(2E)-4-(1-adamantyloxy)-2-hydroxyimino-1,3-dioxobutyl]amino]benzoic acid IUPAC Name: 3-[[(2E)-4-(1-adamantyloxy)-2-hydroxyimino-3-oxobutanoyl]amino]benzoic acid Traditional Name: 3-[[(2E)-4-(1-adamantyloxy)-2-hydroximino-3-keto-butanoyl]amino]benzoic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCC(=O)C(=NO)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c24-17(11-29-21-8-12-4-13(9-21)6-14(5-12)10-21)18(23-28)19(25)22-16-3-1-2-15(7-16)20(26)27/h1-3,7,12-14,28H,4-6,8-11H2,(H,22,25)(H,26,27)/b23-18+