methyl 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-2-chloranyl-pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-2-chloranyl-pyridine-3-carboxylate Openeye Name: methyl 6-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-2-chloro-pyridine-3-carboxylate CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-chloro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-chloropyridine-3-carboxylate Traditional Name: 6-[2-(2-benzoxy-5-bromo-phenyl)ethyl]-2-chloro-nicotinic acid methyl ester Formula: C22H19BrClNO3 MolecularWeight: 460.74816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(C=C1)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(N=C(C=C1)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H19BrClNO3/c1-27-22(26)19-11-10-18(25-21(19)24)9-7-16-13-17(23)8-12-20(16)28-14-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9,14H2,1H3