methyl 2-bromanyl-3-[4-[2-(3-methylpyridin-2-yl)-3-oxidanyl-propoxy]phenyl]propanoate

Systemtic Name: methyl 2-bromanyl-3-[4-[2-(3-methylpyridin-2-yl)-3-oxidanyl-propoxy]phenyl]propanoate Openeye Name: methyl 2-bromo-3-[4-[3-hydroxy-2-(3-methyl-2-pyridyl)propoxy]phenyl]propanoate CAS Name: 2-bromo-3-[4-[3-hydroxy-2-(3-methyl-2-pyridinyl)propoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-bromo-3-[4-[3-hydroxy-2-(3-methylpyridin-2-yl)propoxy]phenyl]propanoate Traditional Name: 2-bromo-3-[4-[3-hydroxy-2-(3-methyl-2-pyridyl)propoxy]phenyl]propionic acid methyl ester Formula: C19H22BrNO4 MolecularWeight: 408.28628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO4/c1-13-4-3-9-21-18(13)15(11-22)12-25-16-7-5-14(6-8-16)10-17(20)19(23)24-2/h3-9,15,17,22H,10-12H2,1-2H3