[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-acetamidocyclohexane-1-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-acetamidocyclohexane-1-carboxylate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 1-acetamidocyclohexanecarboxylate CAS Name: 1-acetamido-1-cyclohexanecarboxylic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 1-acetamidocyclohexane-1-carboxylate Traditional Name: 1-acetamidocyclohexanecarboxylic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CCCCC1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CC(=O)NC1(CCCCC1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C22H26N4O4/c1-15(27)24-22(11-7-4-8-12-22)21(29)30-14-19(28)16(13-23)20-25(2)17-9-5-6-10-18(17)26(20)3/h5-6,9-10H,4,7-8,11-12,14H2,1-3H3,(H,24,27)