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

Systemtic Name: 2-azanylidene-4-[1-[(4-fluorophenyl)methyl]-4-phenyl-pyrrol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[(4-fluorophenyl)methyl]-4-phenyl-pyrrol-3-yl]-2-imino-4-oxo-butanoic acid CAS Name: 4-[1-[(4-fluorophenyl)methyl]-4-phenyl-3-pyrrolyl]-2-imino-4-oxobutanoic acid IUPAC Name: 4-[1-[(4-fluorophenyl)methyl]-4-phenylpyrrol-3-yl]-2-imino-4-oxobutanoic acid Traditional Name: 4-[1-(4-fluorobenzyl)-4-phenyl-pyrrol-3-yl]-2-imino-4-keto-butyric acid Formula: C21H17FN2O3 MolecularWeight: 364.369683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O3/c22-16-8-6-14(7-9-16)11-24-12-17(15-4-2-1-3-5-15)18(13-24)20(25)10-19(23)21(26)27/h1-9,12-13,23H,10-11H2,(H,26,27)