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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (4E)-4-[(3,4-dimethoxyphenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-veratrylidene-2,3-dihydro-1H-acridine-9-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C2CCCC(=CC3=CC(=C(C=C3)OC)OC)C2=NC4=CC=CC=C41

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C2CCC/C(=C\C3=CC(=C(C=C3)OC)OC)/C2=NC4=CC=CC=C41

InChI

InChI=1S/C29H31NO5/c1-29(2,3)25(31)17-35-28(32)26-20-10-6-7-12-22(20)30-27-19(9-8-11-21(26)27)15-18-13-14-23(33-4)24(16-18)34-5/h6-7,10,12-16H,8-9,11,17H2,1-5H3/b19-15+