(3,3-dimethyl-2-oxidanylidene-butyl) 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 4-piperonylidene-2,3-dihydro-1H-acridine-9-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C2CCCC(=CC3=CC4=C(C=C3)OCO4)C2=NC5=CC=CC=C51

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C2CCCC(=CC3=CC4=C(C=C3)OCO4)C2=NC5=CC=CC=C51

InChI

InChI=1S/C28H27NO5/c1-28(2,3)24(30)15-32-27(31)25-19-8-4-5-10-21(19)29-26-18(7-6-9-20(25)26)13-17-11-12-22-23(14-17)34-16-33-22/h4-5,8,10-14H,6-7,9,15-16H2,1-3H3