cyanomethyl (3E)-3-[(4-tert-butylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: cyanomethyl (3E)-3-[(4-tert-butylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: cyanomethyl (3E)-3-[(4-tert-butylphenyl)methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-[(4-tert-butylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (3E)-3-[(4-tert-butylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-(4-tert-butylbenzylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid cyanomethyl ester Formula: C26H24N2O2 MolecularWeight: 396.48096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2CCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/2\CCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC#N

InChI

InChI=1S/C26H24N2O2/c1-26(2,3)19-11-8-17(9-12-19)16-18-10-13-21-23(25(29)30-15-14-27)20-6-4-5-7-22(20)28-24(18)21/h4-9,11-12,16H,10,13,15H2,1-3H3/b18-16+