4-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid

Systemtic Name: 4-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 4-[(5-bromo-2-methoxy-phenyl)methylene]-2-(1,1-dimethylpropyl)-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 2-tert-amyl-4-(5-bromo-2-methoxy-benzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C27H28BrNO3 MolecularWeight: 494.42012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrNO3/c1-5-27(2,3)18-13-17(12-16-14-19(28)10-11-23(16)32-4)25-21(15-18)24(26(30)31)20-8-6-7-9-22(20)29-25/h6-12,14,18H,5,13,15H2,1-4H3,(H,30,31)