methyl 3-[4-(3-bromanylpropoxy)-2-methoxy-phenyl]octanoate

Systemtic Name: methyl 3-[4-(3-bromanylpropoxy)-2-methoxy-phenyl]octanoate Openeye Name: methyl 3-[4-(3-bromopropoxy)-2-methoxy-phenyl]octanoate CAS Name: 3-[4-(3-bromopropoxy)-2-methoxyphenyl]octanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-bromopropoxy)-2-methoxyphenyl]octanoate Traditional Name: 3-[4-(3-bromopropoxy)-2-methoxy-phenyl]caprylic acid methyl ester Formula: C19H29BrO4 MolecularWeight: 401.33516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)OC)C1=C(C=C(C=C1)OCCCBr)OC

Isomeric SMILES

CCCCCC(CC(=O)OC)C1=C(C=C(C=C1)OCCCBr)OC

InChI

InChI=1S/C19H29BrO4/c1-4-5-6-8-15(13-19(21)23-3)17-10-9-16(14-18(17)22-2)24-12-7-11-20/h9-10,14-15H,4-8,11-13H2,1-3H3