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

Systemtic Name: 4-[(3-bromophenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 4-[(3-bromophenyl)methylene]-2-(1,1-dimethylpropyl)-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 4-[(3-bromophenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 4-[(3-bromophenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 2-tert-amyl-4-(3-bromobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C26H26BrNO2 MolecularWeight: 464.39414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrNO2/c1-4-26(2,3)18-14-17(12-16-8-7-9-19(27)13-16)24-21(15-18)23(25(29)30)20-10-5-6-11-22(20)28-24/h5-13,18H,4,14-15H2,1-3H3,(H,29,30)