methyl 3-[4-[2-acetyloxy-2-(5-ethylpyridin-2-yl)ethoxy]phenyl]-2-bromanyl-propanoate

Systemtic Name: methyl 3-[4-[2-acetyloxy-2-(5-ethylpyridin-2-yl)ethoxy]phenyl]-2-bromanyl-propanoate Openeye Name: methyl 3-[4-[2-acetoxy-2-(5-ethyl-2-pyridyl)ethoxy]phenyl]-2-bromo-propanoate CAS Name: 3-[4-[2-acetyloxy-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]-2-bromopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-acetyloxy-2-(5-ethylpyridin-2-yl)ethoxy]phenyl]-2-bromopropanoate Traditional Name: 3-[4-[2-acetoxy-2-(5-ethyl-2-pyridyl)ethoxy]phenyl]-2-bromo-propionic acid methyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(COC2=CC=C(C=C2)CC(C(=O)OC)Br)OC(=O)C

Isomeric SMILES

CCC1=CN=C(C=C1)C(COC2=CC=C(C=C2)CC(C(=O)OC)Br)OC(=O)C

InChI

InChI=1S/C21H24BrNO5/c1-4-15-7-10-19(23-12-15)20(28-14(2)24)13-27-17-8-5-16(6-9-17)11-18(22)21(25)26-3/h5-10,12,18,20H,4,11,13H2,1-3H3