cyanomethyl 2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: cyanomethyl 2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: cyanomethyl 2-tert-butyl-4-[(4-chlorophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 2-tert-butyl-4-(4-chlorobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid cyanomethyl ester Formula: C27H25ClN2O2 MolecularWeight: 444.9526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN2O2/c1-27(2,3)19-15-18(14-17-8-10-20(28)11-9-17)25-22(16-19)24(26(31)32-13-12-29)21-6-4-5-7-23(21)30-25/h4-11,14,19H,13,15-16H2,1-3H3