5-(5-bromanyl-2-fluoranyl-phenyl)-3-methyl-4-pyrrolidin-1-yl-2-pyrrol-1-yl-benzoic acid

Systemtic Name: 5-(5-bromanyl-2-fluoranyl-phenyl)-3-methyl-4-pyrrolidin-1-yl-2-pyrrol-1-yl-benzoic acid Openeye Name: 5-(5-bromo-2-fluoro-phenyl)-3-methyl-4-pyrrolidin-1-yl-2-pyrrol-1-yl-benzoic acid CAS Name: 5-(5-bromo-2-fluorophenyl)-3-methyl-4-(1-pyrrolidinyl)-2-(1-pyrrolyl)benzoic acid IUPAC Name: 5-(5-bromo-2-fluorophenyl)-3-methyl-4-pyrrolidin-1-yl-2-pyrrol-1-ylbenzoic acid Traditional Name: 5-(5-bromo-2-fluoro-phenyl)-3-methyl-4-pyrrolidino-2-pyrrol-1-yl-benzoic acid Formula: C22H20BrFN2O2 MolecularWeight: 443.308803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1N2C=CC=C2)C(=O)O)C3=C(C=CC(=C3)Br)F)N4CCCC4

Isomeric SMILES

CC1=C(C(=CC(=C1N2C=CC=C2)C(=O)O)C3=C(C=CC(=C3)Br)F)N4CCCC4

InChI

InChI=1S/C22H20BrFN2O2/c1-14-20(25-8-2-3-9-25)17(16-12-15(23)6-7-19(16)24)13-18(22(27)28)21(14)26-10-4-5-11-26/h4-7,10-13H,2-3,8-9H2,1H3,(H,27,28)