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

Systemtic Name: pyridin-2-ylmethyl (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: 2-pyridylmethyl (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 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl (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 2-pyridylmethyl ester Formula: C27H20N2O4 MolecularWeight: 436.4587

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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)OCC6=CC=CC=N6

Isomeric SMILES

C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=N6

InChI

InChI=1S/C27H20N2O4/c30-27(31-15-19-5-3-4-12-28-19)25-20-6-1-2-7-22(20)29-26-18(9-10-21(25)26)13-17-8-11-23-24(14-17)33-16-32-23/h1-8,11-14H,9-10,15-16H2/b18-13+