methyl 6-[(4-bromanyl-2-phenethyl-phenoxy)methyl]pyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)COC2=C(C=C(C=C2)Br)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)COC2=C(C=C(C=C2)Br)CCC3=CC=CC=C3

InChI

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