4-[1-[(4-fluorophenyl)methyl]-4-phenyl-pyrrol-3-yl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[1-[(4-fluorophenyl)methyl]-4-phenyl-pyrrol-3-yl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[1-[(4-fluorophenyl)methyl]-4-phenyl-pyrrol-3-yl]-2,4-dioxo-butanoic acid CAS Name: 4-[1-[(4-fluorophenyl)methyl]-4-phenyl-3-pyrrolyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[1-[(4-fluorophenyl)methyl]-4-phenylpyrrol-3-yl]-2,4-dioxobutanoic acid Traditional Name: 4-[1-(4-fluorobenzyl)-4-phenyl-pyrrol-3-yl]-2,4-diketo-butyric acid Formula: C21H16FNO4 MolecularWeight: 365.354443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C=C2C(=O)CC(=O)C(=O)O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C=C2C(=O)CC(=O)C(=O)O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H16FNO4/c22-16-8-6-14(7-9-16)11-23-12-17(15-4-2-1-3-5-15)18(13-23)19(24)10-20(25)21(26)27/h1-9,12-13H,10-11H2,(H,26,27)