(2S,4E)-4-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylic acid

Systemtic Name: (2S,4E)-4-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: (2S,4E)-4-[(5-bromo-2-methoxy-phenyl)methylene]-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: (2S,4E)-4-[(5-bromo-2-methoxyphenyl)methylidene]-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: (2S,4E)-4-[(5-bromo-2-methoxyphenyl)methylidene]-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: (2S,4E)-4-(5-bromo-2-methoxy-benzylidene)-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C26H26BrNO3 MolecularWeight: 480.39354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)[C@H]1C/C(=C\C2=C(C=CC(=C2)Br)OC)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

InChI

InChI=1S/C26H26BrNO3/c1-26(2,3)17-12-16(11-15-13-18(27)9-10-22(15)31-4)24-20(14-17)23(25(29)30)19-7-5-6-8-21(19)28-24/h5-11,13,17H,12,14H2,1-4H3,(H,29,30)/b16-11+/t17-/m0/s1