(2R,4E)-2-tert-butyl-4-[(3-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

Systemtic Name: (2R,4E)-2-tert-butyl-4-[(3-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: (2R,4E)-2-tert-butyl-4-[(3-chlorophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: (2R,4E)-2-tert-butyl-4-[(3-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: (2R,4E)-2-tert-butyl-4-[(3-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: (2R,4E)-2-tert-butyl-4-(3-chlorobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C25H24ClNO2 MolecularWeight: 405.91656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClNO2/c1-25(2,3)17-13-16(11-15-7-6-8-18(26)12-15)23-20(14-17)22(24(28)29)19-9-4-5-10-21(19)27-23/h4-12,17H,13-14H2,1-3H3,(H,28,29)/b16-11+/t17-/m1/s1