(3-cyanophenyl)methyl (3E)-3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: (3-cyanophenyl)methyl (3E)-3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: (3-cyanophenyl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-(phenylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-benzal-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (3-cyanobenzyl) ester Formula: C28H20N2O2 MolecularWeight: 416.4706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC=CC=C4)C(=O)OCC5=CC=CC(=C5)C#N

Isomeric SMILES

C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC=CC=C4)C(=O)OCC5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H20N2O2/c29-17-20-9-6-10-21(15-20)18-32-28(31)26-23-11-4-5-12-25(23)30-27-22(13-14-24(26)27)16-19-7-2-1-3-8-19/h1-12,15-16H,13-14,18H2/b22-16+