[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-cyclopentanecarboxylic 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-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3(CCCC3)C4=CC5=C(C=C4)OCCO5)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3(CCCC3)C4=CC5=C(C=C4)OCCO5)C

InChI

InChI=1S/C27H27N3O5/c1-29-20-7-3-4-8-21(20)30(2)25(29)19(16-28)22(31)17-35-26(32)27(11-5-6-12-27)18-9-10-23-24(15-18)34-14-13-33-23/h3-4,7-10,15H,5-6,11-14,17H2,1-2H3