(3,3-dimethyl-2-oxidanylidene-butyl) (2R,4E)-2-methyl-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2R,4E)-2-methyl-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2R,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2R,4E)-2-methyl-4-(phenylmethylene)-2,3-dihydro-1H-acridine-9-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2R,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2R,4E)-4-benzal-2-methyl-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:

CC1CC(=CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H]1C/C(=C\C2=CC=CC=C2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C28H29NO3/c1-18-14-20(16-19-10-6-5-7-11-19)26-22(15-18)25(21-12-8-9-13-23(21)29-26)27(31)32-17-24(30)28(2,3)4/h5-13,16,18H,14-15,17H2,1-4H3/b20-16+/t18-/m1/s1