2-[4-(4-fluorophenyl)carbonyl-2,3,5-trimethyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(4-fluorophenyl)carbonyl-2,3,5-trimethyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[4-(4-fluorobenzoyl)-2,3,5-trimethyl-pyrrol-2-yl]acetic acid CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-2,3,5-trimethyl-2-pyrrolyl]acetic acid IUPAC Name: 2-[4-(4-fluorobenzoyl)-2,3,5-trimethylpyrrol-2-yl]acetic acid Traditional Name: 2-[4-(4-fluorobenzoyl)-2,3,5-trimethyl-pyrrol-2-yl]acetic acid Formula: C16H16FNO3 MolecularWeight: 289.301543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1(C)CC(=O)O)C)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=NC1(C)CC(=O)O)C)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H16FNO3/c1-9-14(10(2)18-16(9,3)8-13(19)20)15(21)11-4-6-12(17)7-5-11/h4-7H,8H2,1-3H3,(H,19,20)