[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-phenoxybutanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-phenoxybutanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CCCOC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CCCOC3=CC=CC=C3)C

InChI

InChI=1S/C23H23N3O4/c1-25-19-11-6-7-12-20(19)26(2)23(25)18(15-24)21(27)16-30-22(28)13-8-14-29-17-9-4-3-5-10-17/h3-7,9-12H,8,13-14,16H2,1-2H3