(2E)-2-[3-(1-adamantyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxylic acid

Systemtic Name: (2E)-2-[3-(1-adamantyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxylic acid Openeye Name: (2E)-2-[3-(1-adamantyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxylic acid CAS Name: (2E)-2-[3-(1-adamantyl)-4-oxo-1-cyclohexa-2,5-dienylidene]-1,3-dihydrobenzimidazole-5-carboxylic acid IUPAC Name: (2E)-2-[3-(1-adamantyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxylic acid Traditional Name: (2E)-2-[3-(1-adamantyl)-4-keto-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxylic acid Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C5NC6=C(N5)C=C(C=C6)C(=O)O)C=CC4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C/C(=C/5\NC6=C(N5)C=C(C=C6)C(=O)O)/C=CC4=O

InChI

InChI=1S/C24H24N2O3/c27-21-4-2-16(22-25-19-3-1-17(23(28)29)9-20(19)26-22)8-18(21)24-10-13-5-14(11-24)7-15(6-13)12-24/h1-4,8-9,13-15,25-26H,5-7,10-12H2,(H,28,29)/b22-16+