4-[(4-cyanophenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid

Systemtic Name: 4-[(4-cyanophenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 4-[(4-cyanophenyl)methylene]-2-(1,1-dimethylpropyl)-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 4-[(4-cyanophenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 4-[(4-cyanophenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 2-tert-amyl-4-(4-cyanobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CC(=CC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

Isomeric SMILES

CCC(C)(C)C1CC(=CC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

InChI

InChI=1S/C27H26N2O2/c1-4-27(2,3)20-14-19(13-17-9-11-18(16-28)12-10-17)25-22(15-20)24(26(30)31)21-7-5-6-8-23(21)29-25/h5-13,20H,4,14-15H2,1-3H3,(H,30,31)