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

Systemtic Name: 3-cyanopropyl (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: 3-cyanopropyl (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 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (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 3-cyanopropyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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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)OCCCC#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4/c1-31-23-13-12-18(17-24(23)32-2)16-19-8-7-10-21-25(27(30)33-15-6-5-14-28)20-9-3-4-11-22(20)29-26(19)21/h3-4,9,11-13,16-17H,5-8,10,15H2,1-2H3/b19-16+