3-cyanopropyl (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: 3-cyanopropyl (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: 3-cyanopropyl (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-piperonylidene-2,3-dihydro-1H-acridine-9-carboxylic acid 3-cyanopropyl ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C(=C4C1)C(=O)OCCCC#N

Isomeric SMILES

C1C/C(=C\C2=CC3=C(C=C2)OCO3)/C4=NC5=CC=CC=C5C(=C4C1)C(=O)OCCCC#N

InChI

InChI=1S/C26H22N2O4/c27-12-3-4-13-30-26(29)24-19-7-1-2-9-21(19)28-25-18(6-5-8-20(24)25)14-17-10-11-22-23(15-17)32-16-31-22/h1-2,7,9-11,14-15H,3-6,8,13,16H2/b18-14+