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

Systemtic Name: 2-(2-methylbutan-2-yl)-4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 2-(1,1-dimethylpropyl)-4-(m-tolylmethylene)-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 2-(2-methylbutan-2-yl)-4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 2-(2-methylbutan-2-yl)-4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 2-tert-amyl-4-(3-methylbenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C27H29NO2 MolecularWeight: 399.52466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO2/c1-5-27(3,4)20-15-19(14-18-10-8-9-17(2)13-18)25-22(16-20)24(26(29)30)21-11-6-7-12-23(21)28-25/h6-14,20H,5,15-16H2,1-4H3,(H,29,30)