[1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] (4E)-4-[(4-fluorophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid [1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(4-fluorobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C33H31FN2O5 MolecularWeight: 554.608043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=C3CCCC(=CC4=CC=C(C=C4)F)C3=NC5=CC=CC=C52)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=C3CCC/C(=C\C4=CC=C(C=C4)F)/C3=NC5=CC=CC=C52)C

InChI

InChI=1S/C33H31FN2O5/c1-5-40-32(38)27-18(2)29(35-19(27)3)31(37)20(4)41-33(39)28-24-10-6-7-12-26(24)36-30-22(9-8-11-25(28)30)17-21-13-15-23(34)16-14-21/h6-7,10,12-17,20,35H,5,8-9,11H2,1-4H3/b22-17+