[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-phenyladamantane-1-carboxylate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)C(=C4NC5=CC=CC=C5N4)C#N)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)C(=C4NC5=CC=CC=C5N4)C#N)C6=CC=CC=C6

InChI

InChI=1S/C28H27N3O3/c29-15-21(25-30-22-8-4-5-9-23(22)31-25)24(32)16-34-26(33)28-13-18-10-19(14-28)12-27(11-18,17-28)20-6-2-1-3-7-20/h1-9,18-19,30-31H,10-14,16-17H2