(3,3-dimethyl-2-oxidanylidene-butyl) (4E)-4-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (4E)-4-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (4E)-4-(p-tolylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (4E)-4-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(4-methylbenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/2\CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C28H29NO3/c1-18-12-14-19(15-13-18)16-20-8-7-10-22-25(27(31)32-17-24(30)28(2,3)4)21-9-5-6-11-23(21)29-26(20)22/h5-6,9,11-16H,7-8,10,17H2,1-4H3/b20-16+