6-[2-[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-[2-[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid Openeye Name: 6-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid CAS Name: 6-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-1-cyclohexenyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid Traditional Name: 6-[2-[5-bromo-2-(4-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=C(C=C4)F

Isomeric SMILES

C1CCC(=C(C1)C2=NC(=CC=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H21BrFNO3/c26-17-10-13-24(31-15-16-8-11-18(27)12-9-16)21(14-17)19-4-1-2-5-20(19)22-6-3-7-23(28-22)25(29)30/h3,6-14H,1-2,4-5,15H2,(H,29,30)