3-cyanopropyl (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: 3-cyanopropyl (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: 3-cyanopropyl (4E)-4-[(3,4,5-trimethoxyphenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (4E)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid 3-cyanopropyl ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCCCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/2\CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCCCC#N

InChI

InChI=1S/C28H28N2O5/c1-32-23-16-18(17-24(33-2)27(23)34-3)15-19-9-8-11-21-25(28(31)35-14-7-6-13-29)20-10-4-5-12-22(20)30-26(19)21/h4-5,10,12,15-17H,6-9,11,14H2,1-3H3/b19-15+