1-butyl-4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-4H-pyridine-3-carboxylic acid

Systemtic Name: 1-butyl-4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-4H-pyridine-3-carboxylic acid Openeye Name: 1-butyl-4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-4H-pyridine-3-carboxylic acid CAS Name: 1-butyl-4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-4H-pyridine-3-carboxylic acid IUPAC Name: 1-butyl-4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-4H-pyridine-3-carboxylic acid Traditional Name: 1-butyl-4-[2-(3-fluorobenzyl)oxyphenyl]-2,6-dimethyl-4H-pyridine-3-carboxylic acid Formula: C25H28FNO3 MolecularWeight: 409.493123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(C(=C1C)C(=O)O)C2=CC=CC=C2OCC3=CC(=CC=C3)F)C

Isomeric SMILES

CCCCN1C(=CC(C(=C1C)C(=O)O)C2=CC=CC=C2OCC3=CC(=CC=C3)F)C

InChI

InChI=1S/C25H28FNO3/c1-4-5-13-27-17(2)14-22(24(18(27)3)25(28)29)21-11-6-7-12-23(21)30-16-19-9-8-10-20(26)15-19/h6-12,14-15,22H,4-5,13,16H2,1-3H3,(H,28,29)