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

Systemtic Name: 4-[(4-butoxy-3-ethoxy-phenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 4-[(4-butoxy-3-ethoxy-phenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 4-[(4-butoxy-3-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 4-[(4-butoxy-3-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 4-(4-butoxy-3-ethoxy-benzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)O)OCC

InChI

InChI=1S/C27H29NO4/c1-3-5-15-32-23-14-13-18(17-24(23)31-4-2)16-19-9-8-11-21-25(27(29)30)20-10-6-7-12-22(20)28-26(19)21/h6-7,10,12-14,16-17H,3-5,8-9,11,15H2,1-2H3,(H,29,30)