methyl 6-bromanyl-7-oxidanyl-7-pyridin-3-yl-heptanoate

Systemtic Name: methyl 6-bromanyl-7-oxidanyl-7-pyridin-3-yl-heptanoate Openeye Name: methyl 6-bromo-7-hydroxy-7-(3-pyridyl)heptanoate CAS Name: 6-bromo-7-hydroxy-7-(3-pyridinyl)heptanoic acid methyl ester IUPAC Name: methyl 6-bromo-7-hydroxy-7-pyridin-3-ylheptanoate Traditional Name: 6-bromo-7-hydroxy-7-(3-pyridyl)enanthic acid methyl ester Formula: C13H18BrNO3 MolecularWeight: 316.19092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(C(C1=CN=CC=C1)O)Br

Isomeric SMILES

COC(=O)CCCCC(C(C1=CN=CC=C1)O)Br

InChI

InChI=1S/C13H18BrNO3/c1-18-12(16)7-3-2-6-11(14)13(17)10-5-4-8-15-9-10/h4-5,8-9,11,13,17H,2-3,6-7H2,1H3