3-[2-[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[5-bromo-2-(4-fluorobenzyl)oxy-phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Formula: C25H19BrFNO3 MolecularWeight: 480.325663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H19BrFNO3/c1-16-5-11-23(28(16)21-4-2-3-18(13-21)25(29)30)22-14-19(26)8-12-24(22)31-15-17-6-9-20(27)10-7-17/h2-14H,15H2,1H3,(H,29,30)