(2S,4E)-4-[(2-bromophenyl)methylidene]-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (2S,4E)-4-[(2-bromophenyl)methylidene]-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (2S,4E)-4-[(2-bromophenyl)methylene]-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2S,4E)-4-[(2-bromophenyl)methylidene]-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylate IUPAC Name: (2S,4E)-4-[(2-bromophenyl)methylidene]-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2S,4E)-4-(2-bromobenzylidene)-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylate Formula: C25H23BrNO2- MolecularWeight: 449.35962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=CC=CC=C2Br)C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H]1C/C(=C\C2=CC=CC=C2Br)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

InChI

InChI=1S/C25H24BrNO2/c1-25(2,3)17-13-16(12-15-8-4-6-10-20(15)26)23-19(14-17)22(24(28)29)18-9-5-7-11-21(18)27-23/h4-12,17H,13-14H2,1-3H3,(H,28,29)/p-1/b16-12+/t17-/m0/s1