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

Systemtic Name: 2-ethoxyethyl (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: 2-ethoxyethyl (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-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (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-ethoxyethyl ester Formula: C25H23NO5 MolecularWeight: 417.45382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1=C2CCC(=CC3=CC4=C(C=C3)OCO4)C2=NC5=CC=CC=C51

Isomeric SMILES

CCOCCOC(=O)C1=C2CC/C(=C\C3=CC4=C(C=C3)OCO4)/C2=NC5=CC=CC=C51

InChI

InChI=1S/C25H23NO5/c1-2-28-11-12-29-25(27)23-18-5-3-4-6-20(18)26-24-17(8-9-19(23)24)13-16-7-10-21-22(14-16)31-15-30-21/h3-7,10,13-14H,2,8-9,11-12,15H2,1H3/b17-13+