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

Systemtic Name: 3-[2-[5-bromanyl-2-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[5-bromo-2-(3-chlorobenzyl)oxy-phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Formula: C25H19BrClNO3 MolecularWeight: 496.78026

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H19BrClNO3/c1-16-8-10-23(28(16)21-7-3-5-18(13-21)25(29)30)22-14-19(26)9-11-24(22)31-15-17-4-2-6-20(27)12-17/h2-14H,15H2,1H3,(H,29,30)