(3,3-dimethyl-2-oxidanylidene-butyl) (4E)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (4E)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (4E)-4-[(2-chlorophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (4E)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(2-chlorobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C27H26ClNO3 MolecularWeight: 447.95324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C2CCCC(=CC3=CC=CC=C3Cl)C2=NC4=CC=CC=C41

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C2CCC/C(=C\C3=CC=CC=C3Cl)/C2=NC4=CC=CC=C41

InChI

InChI=1S/C27H26ClNO3/c1-27(2,3)23(30)16-32-26(31)24-19-11-5-7-14-22(19)29-25-18(10-8-12-20(24)25)15-17-9-4-6-13-21(17)28/h4-7,9,11,13-15H,8,10,12,16H2,1-3H3/b18-15+