ethyl 4-[[1-(4-ethoxycarbonylphenyl)-2-(3-fluorophenyl)-5-oxidanylidene-2H-pyrrol-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-2-(3-fluorophenyl)-5-oxidanylidene-2H-pyrrol-4-yl]amino]benzoate Openeye Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-2-(3-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]amino]benzoate CAS Name: 4-[[1-(4-ethoxycarbonylphenyl)-2-(3-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-2-(3-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]amino]benzoate Traditional Name: 4-[[1-(4-carbethoxyphenyl)-5-(3-fluorophenyl)-2-keto-3-pyrrolin-3-yl]amino]benzoic acid ethyl ester Formula: C28H25FN2O5 MolecularWeight: 488.506903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=C(C=C3)C(=O)OCC)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=C(C=C3)C(=O)OCC)C4=CC(=CC=C4)F

InChI

InChI=1S/C28H25FN2O5/c1-3-35-27(33)18-8-12-22(13-9-18)30-24-17-25(20-6-5-7-21(29)16-20)31(26(24)32)23-14-10-19(11-15-23)28(34)36-4-2/h5-17,25,30H,3-4H2,1-2H3