methyl (4Z)-4-[[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-methyl-5-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-[[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-methyl-5-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-methyl-5-oxo-1-phenethyl-pyrrole-3-carboxylate CAS Name: (4Z)-4-[[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-methyl-5-oxo-1-phenethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methyl-5-oxo-1-phenethylpyrrole-3-carboxylate Traditional Name: (4Z)-4-[[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-keto-2-methyl-1-phenethyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C28H27FN2O3 MolecularWeight: 458.523983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C=C3C(=C(N(C3=O)CCC4=CC=CC=C4)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)/C=C\3/C(=C(N(C3=O)CCC4=CC=CC=C4)C)C(=O)OC

InChI

InChI=1S/C28H27FN2O3/c1-18-16-22(19(2)31(18)25-13-9-8-12-24(25)29)17-23-26(28(33)34-4)20(3)30(27(23)32)15-14-21-10-6-5-7-11-21/h5-13,16-17H,14-15H2,1-4H3/b23-17-