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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S,4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2S,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2S,4E)-2-tert-butyl-4-piperonylidene-2,3-dihydro-1H-acridine-9-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C32H35NO5 MolecularWeight: 513.624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C(=C4C1)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)[C@H]1C/C(=C\C2=CC3=C(C=C2)OCO3)/C4=NC5=CC=CC=C5C(=C4C1)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C32H35NO5/c1-31(2,3)21-15-20(13-19-11-12-25-26(14-19)38-18-37-25)29-23(16-21)28(22-9-7-8-10-24(22)33-29)30(35)36-17-27(34)32(4,5)6/h7-14,21H,15-18H2,1-6H3/b20-13+/t21-/m0/s1