[(2Z)-2-[3-(1-adamantyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl] ethanoate

Systemtic Name: [(2Z)-2-[3-(1-adamantyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl] ethanoate Openeye Name: [(2Z)-2-[3-(1-adamantyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl] acetate CAS Name: acetic acid [(2Z)-2-[3-(1-adamantyl)-4-oxo-1-cyclohexa-2,5-dienylidene]-1,3-dihydrobenzimidazol-5-yl] ester IUPAC Name: [(2Z)-2-[3-(1-adamantyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl] acetate Traditional Name: acetic acid [(2Z)-2-[3-(1-adamantyl)-4-keto-cyclohexa-2,5-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl] ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)NC(=C3C=CC(=O)C(=C3)C45CC6CC(C4)CC(C6)C5)N2

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)N/C(=C/3\C=CC(=O)C(=C3)C45CC6CC(C4)CC(C6)C5)/N2

InChI

InChI=1S/C25H26N2O3/c1-14(28)30-19-3-4-21-22(10-19)27-24(26-21)18-2-5-23(29)20(9-18)25-11-15-6-16(12-25)8-17(7-15)13-25/h2-5,9-10,15-17,26-27H,6-8,11-13H2,1H3/b24-18-