methyl 3-[4-[2-acetyloxy-2-(4,6-dimethylpyridin-2-yl)ethoxy]phenyl]-2-bromanyl-propanoate

Systemtic Name: methyl 3-[4-[2-acetyloxy-2-(4,6-dimethylpyridin-2-yl)ethoxy]phenyl]-2-bromanyl-propanoate Openeye Name: methyl 3-[4-[2-acetoxy-2-(4,6-dimethyl-2-pyridyl)ethoxy]phenyl]-2-bromo-propanoate CAS Name: 3-[4-[2-acetyloxy-2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-2-bromopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-acetyloxy-2-(4,6-dimethylpyridin-2-yl)ethoxy]phenyl]-2-bromopropanoate Traditional Name: 3-[4-[2-acetoxy-2-(4,6-dimethyl-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:

CC1=CC(=NC(=C1)C(COC2=CC=C(C=C2)CC(C(=O)OC)Br)OC(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=C1)C(COC2=CC=C(C=C2)CC(C(=O)OC)Br)OC(=O)C)C

InChI

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