4-(1-adamantyl)-3-oxidanylidene-2-phenacyl-butanoic acid

Systemtic Name: 4-(1-adamantyl)-3-oxidanylidene-2-phenacyl-butanoic acid Openeye Name: 4-(1-adamantyl)-3-oxo-2-phenacyl-butanoic acid CAS Name: 4-(1-adamantyl)-3-oxo-2-phenacylbutanoic acid IUPAC Name: 4-(1-adamantyl)-3-oxo-2-phenacylbutanoic acid Traditional Name: 4-(1-adamantyl)-3-keto-2-phenacyl-butyric acid Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O4/c23-19(17-4-2-1-3-5-17)9-18(21(25)26)20(24)13-22-10-14-6-15(11-22)8-16(7-14)12-22/h1-5,14-16,18H,6-13H2,(H,25,26)