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

Systemtic Name: 3-azanyl-5-[2-[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid Openeye Name: 3-amino-5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid CAS Name: 3-amino-5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-1-cyclopentenyl]benzoic acid IUPAC Name: 3-amino-5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid Traditional Name: 3-amino-5-[2-[5-bromo-2-(4-fluorobenzyl)oxy-phenyl]cyclopenten-1-yl]benzoic acid Formula: C25H21BrFNO3 MolecularWeight: 482.341543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F)C4=CC(=CC(=C4)N)C(=O)O

Isomeric SMILES

C1CC(=C(C1)C2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F)C4=CC(=CC(=C4)N)C(=O)O

InChI

InChI=1S/C25H21BrFNO3/c26-18-6-9-24(31-14-15-4-7-19(27)8-5-15)23(13-18)22-3-1-2-21(22)16-10-17(25(29)30)12-20(28)11-16/h4-13H,1-3,14,28H2,(H,29,30)