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

Systemtic Name: 4-[(2-ethoxyphenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 2-(1,1-dimethylpropyl)-4-[(2-ethoxyphenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 4-[(2-ethoxyphenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 4-[(2-ethoxyphenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 2-tert-amyl-4-(2-ethoxybenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CC(=CC2=CC=CC=C2OCC)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

Isomeric SMILES

CCC(C)(C)C1CC(=CC2=CC=CC=C2OCC)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

InChI

InChI=1S/C28H31NO3/c1-5-28(3,4)20-16-19(15-18-11-7-10-14-24(18)32-6-2)26-22(17-20)25(27(30)31)21-12-8-9-13-23(21)29-26/h7-15,20H,5-6,16-17H2,1-4H3,(H,30,31)