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

Systemtic Name: (4-cyanophenyl)methyl (3E)-3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: (4-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 (4-cyanophenyl)methyl ester IUPAC Name: (4-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 (4-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=C(C=C5)C#N

Isomeric SMILES

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

InChI

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