6-[2-[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-[2-[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid Openeye Name: 6-[2-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid CAS Name: 6-[2-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-1-cyclohexenyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[2-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid Traditional Name: 6-[2-[5-bromo-2-(2-fluorobenzyl)oxy-phenyl]cyclohexen-1-yl]picolinic acid Formula: C25H21BrFNO3 MolecularWeight: 482.341543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C2=NC(=CC=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4F

Isomeric SMILES

C1CCC(=C(C1)C2=NC(=CC=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4F

InChI

InChI=1S/C25H21BrFNO3/c26-17-12-13-24(31-15-16-6-1-4-9-21(16)27)20(14-17)18-7-2-3-8-19(18)22-10-5-11-23(28-22)25(29)30/h1,4-6,9-14H,2-3,7-8,15H2,(H,29,30)