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

Systemtic Name: 2-tert-butyl-4-[(3-ethoxy-4-methoxy-phenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 2-tert-butyl-4-[(3-ethoxy-4-methoxy-phenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 2-tert-butyl-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 2-tert-butyl-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 2-tert-butyl-4-(3-ethoxy-4-methoxy-benzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2CC(CC3=C(C4=CC=CC=C4N=C23)C(=O)O)C(C)(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2CC(CC3=C(C4=CC=CC=C4N=C23)C(=O)O)C(C)(C)C)OC

InChI

InChI=1S/C28H31NO4/c1-6-33-24-14-17(11-12-23(24)32-5)13-18-15-19(28(2,3)4)16-21-25(27(30)31)20-9-7-8-10-22(20)29-26(18)21/h7-14,19H,6,15-16H2,1-5H3,(H,30,31)