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

Systemtic Name: 4-[(4-carboxyphenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 4-[(4-carboxyphenyl)methylene]-2-(1,1-dimethylpropyl)-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 4-[(4-carboxyphenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 4-[(4-carboxyphenyl)methylidene]-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 2-tert-amyl-4-(4-carboxybenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO4/c1-4-27(2,3)19-14-18(13-16-9-11-17(12-10-16)25(29)30)24-21(15-19)23(26(31)32)20-7-5-6-8-22(20)28-24/h5-13,19H,4,14-15H2,1-3H3,(H,29,30)(H,31,32)