6-[(4-bromanyl-2-phenethyl-phenoxy)methyl]-5-methyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[(4-bromanyl-2-phenethyl-phenoxy)methyl]-5-methyl-pyridine-3-carboxylic acid Openeye Name: 6-[(4-bromo-2-phenethyl-phenoxy)methyl]-5-methyl-pyridine-3-carboxylic acid CAS Name: 6-[(4-bromo-2-phenethylphenoxy)methyl]-5-methyl-3-pyridinecarboxylic acid IUPAC Name: 6-[(4-bromo-2-phenethylphenoxy)methyl]-5-methylpyridine-3-carboxylic acid Traditional Name: 6-[(4-bromo-2-phenethyl-phenoxy)methyl]-5-methyl-nicotinic acid Formula: C22H20BrNO3 MolecularWeight: 426.3031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)C(=O)O)COC2=C(C=C(C=C2)Br)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CC(=C1)C(=O)O)COC2=C(C=C(C=C2)Br)CCC3=CC=CC=C3

InChI

InChI=1S/C22H20BrNO3/c1-15-11-18(22(25)26)13-24-20(15)14-27-21-10-9-19(23)12-17(21)8-7-16-5-3-2-4-6-16/h2-6,9-13H,7-8,14H2,1H3,(H,25,26)