methyl (2Z)-2-[3-(1-adamantyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxylate

Systemtic Name: methyl (2Z)-2-[3-(1-adamantyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxylate Openeye Name: methyl (2Z)-2-[3-(1-adamantyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxylate CAS Name: (2Z)-2-[3-(1-adamantyl)-4-oxo-1-cyclohexa-2,5-dienylidene]-1,3-dihydrobenzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[3-(1-adamantyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxylate Traditional Name: (2Z)-2-[3-(1-adamantyl)-4-keto-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxylic acid methyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC(=C3C=CC(=O)C(=C3)C45CC6CC(C4)CC(C6)C5)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N/C(=C/3\C=CC(=O)C(=C3)C45CC6CC(C4)CC(C6)C5)/N2

InChI

InChI=1S/C25H26N2O3/c1-30-24(29)18-2-4-20-21(10-18)27-23(26-20)17-3-5-22(28)19(9-17)25-11-14-6-15(12-25)8-16(7-14)13-25/h2-5,9-10,14-16,26-27H,6-8,11-13H2,1H3/b23-17-