[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(oxolan-2-ylmethoxy)benzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 4-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 4-(2-oxolanylmethoxy)benzoic 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-(oxolan-2-ylmethoxy)benzoate Traditional Name: 4-(tetrahydrofurfuryloxy)benzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC=C(C=C3)OCC4CCCO4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC=C(C=C3)OCC4CCCO4)C

InChI

InChI=1S/C25H25N3O5/c1-27-21-7-3-4-8-22(21)28(2)24(27)20(14-26)23(29)16-33-25(30)17-9-11-18(12-10-17)32-15-19-6-5-13-31-19/h3-4,7-12,19H,5-6,13,15-16H2,1-2H3