3-cyanopropyl (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: 3-cyanopropyl (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: 3-cyanopropyl (3E)-3-(1,3-benzodioxol-5-ylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-piperonylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid 3-cyanopropyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC5=C(C=C4)OCO5)C(=O)OCCCC#N

Isomeric SMILES

C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC5=C(C=C4)OCO5)C(=O)OCCCC#N

InChI

InChI=1S/C25H20N2O4/c26-11-3-4-12-29-25(28)23-18-5-1-2-6-20(18)27-24-17(8-9-19(23)24)13-16-7-10-21-22(14-16)31-15-30-21/h1-2,5-7,10,13-14H,3-4,8-9,12,15H2/b17-13+