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

Systemtic Name: phenacyl (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: phenacyl (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 phenacyl ester IUPAC Name: phenacyl (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 phenacyl ester Formula: C29H21NO5 MolecularWeight: 463.48074

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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)OCC(=O)C6=CC=CC=C6

Isomeric SMILES

C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC5=C(C=C4)OCO5)C(=O)OCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H21NO5/c31-24(19-6-2-1-3-7-19)16-33-29(32)27-21-8-4-5-9-23(21)30-28-20(11-12-22(27)28)14-18-10-13-25-26(15-18)35-17-34-25/h1-10,13-15H,11-12,16-17H2/b20-14+