(2-phenethyloxyphenyl) 3-bromanyl-4-butoxy-benzoate

Systemtic Name: (2-phenethyloxyphenyl) 3-bromanyl-4-butoxy-benzoate Openeye Name: (2-phenethyloxyphenyl) 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid (2-phenethyloxyphenyl) ester IUPAC Name: (2-phenethyloxyphenyl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (2-phenethyloxyphenyl) ester Formula: C25H25BrO4 MolecularWeight: 469.3676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H25BrO4/c1-2-3-16-28-22-14-13-20(18-21(22)26)25(27)30-24-12-8-7-11-23(24)29-17-15-19-9-5-4-6-10-19/h4-14,18H,2-3,15-17H2,1H3