2-[2-[(5-bromanyl-2-fluoranyl-phenyl)-pyrrolidin-1-yl-methyl]pyrrol-1-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C2=CC=CN2C3=CC=CC=C3C(=O)O)C4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1CCN(C1)C(C2=CC=CN2C3=CC=CC=C3C(=O)O)C4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C22H20BrFN2O2/c23-15-9-10-18(24)17(14-15)21(25-11-3-4-12-25)20-8-5-13-26(20)19-7-2-1-6-16(19)22(27)28/h1-2,5-10,13-14,21H,3-4,11-12H2,(H,27,28)