cyanomethyl (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: cyanomethyl (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: cyanomethyl (4E)-4-[(3,4-dimethoxyphenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-veratrylidene-2,3-dihydro-1H-acridine-9-carboxylic acid cyanomethyl ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC#N)OC

InChI

InChI=1S/C25H22N2O4/c1-29-21-11-10-16(15-22(21)30-2)14-17-6-5-8-19-23(25(28)31-13-12-26)18-7-3-4-9-20(18)27-24(17)19/h3-4,7,9-11,14-15H,5-6,8,13H2,1-2H3/b17-14+