methyl 4-[4-(4-bromanylbutoxy)-3-phenyl-phenyl]butanoate

Systemtic Name: methyl 4-[4-(4-bromanylbutoxy)-3-phenyl-phenyl]butanoate Openeye Name: methyl 4-[4-(4-bromobutoxy)-3-phenyl-phenyl]butanoate CAS Name: 4-[4-(4-bromobutoxy)-3-phenylphenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(4-bromobutoxy)-3-phenylphenyl]butanoate Traditional Name: 4-[4-(4-bromobutoxy)-3-phenyl-phenyl]butyric acid methyl ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC(=C(C=C1)OCCCCBr)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCC1=CC(=C(C=C1)OCCCCBr)C2=CC=CC=C2

InChI

InChI=1S/C21H25BrO3/c1-24-21(23)11-7-8-17-12-13-20(25-15-6-5-14-22)19(16-17)18-9-3-2-4-10-18/h2-4,9-10,12-13,16H,5-8,11,14-15H2,1H3