(4E)-4-[(3-butoxy-4-methoxy-phenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (4E)-4-[(3-butoxy-4-methoxy-phenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (4E)-4-[(3-butoxy-4-methoxy-phenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(3-butoxy-4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate IUPAC Name: (4E)-4-[(3-butoxy-4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(3-butoxy-4-methoxy-benzylidene)-2,3-dihydro-1H-acridine-9-carboxylate Formula: C26H26NO4- MolecularWeight: 416.48894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C/2\CCCC3=C(C4=CC=CC=C4N=C23)C(=O)[O-])OC

InChI

InChI=1S/C26H27NO4/c1-3-4-14-31-23-16-17(12-13-22(23)30-2)15-18-8-7-10-20-24(26(28)29)19-9-5-6-11-21(19)27-25(18)20/h5-6,9,11-13,15-16H,3-4,7-8,10,14H2,1-2H3,(H,28,29)/p-1/b18-15+