methyl 4-[2-(1-adamantyl)ethanoyloxy]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-(1-adamantyl)ethanoyloxy]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-[2-(1-adamantyl)acetyl]oxy-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[2-(1-adamantyl)-1-oxoethoxy]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-(1-adamantyl)acetyl]oxy-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[2-(1-adamantyl)acetyl]oxy-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2O5/c1-30-23(29)21(22-25-17-4-2-3-5-18(17)26-22)19(27)13-31-20(28)12-24-9-14-6-15(10-24)8-16(7-14)11-24/h2-5,14-16,25-26H,6-13H2,1H3