4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-2-(1,1-dimethylpropyl)-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(2-methylbutan-2-yl)-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 2-tert-amyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CC(=CC2=CC3=C(C=C2)OCCO3)C4=NC5=CC=CC=C5C(=C4C1)C(=O)O

Isomeric SMILES

CCC(C)(C)C1CC(=CC2=CC3=C(C=C2)OCCO3)C4=NC5=CC=CC=C5C(=C4C1)C(=O)O

InChI

InChI=1S/C28H29NO4/c1-4-28(2,3)19-15-18(13-17-9-10-23-24(14-17)33-12-11-32-23)26-21(16-19)25(27(30)31)20-7-5-6-8-22(20)29-26/h5-10,13-14,19H,4,11-12,15-16H2,1-3H3,(H,30,31)