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

Systemtic Name: methyl 3-[4-(3-bromanylpropoxy)-2-methoxy-phenyl]heptanoate Openeye Name: methyl 3-[4-(3-bromopropoxy)-2-methoxy-phenyl]heptanoate CAS Name: 3-[4-(3-bromopropoxy)-2-methoxyphenyl]heptanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-bromopropoxy)-2-methoxyphenyl]heptanoate Traditional Name: 3-[4-(3-bromopropoxy)-2-methoxy-phenyl]enanthic acid methyl ester Formula: C18H27BrO4 MolecularWeight: 387.30858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrO4/c1-4-5-7-14(12-18(20)22-3)16-9-8-15(13-17(16)21-2)23-11-6-10-19/h8-9,13-14H,4-7,10-12H2,1-3H3