(4-ethylphenyl) 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate

Systemtic Name: (4-ethylphenyl) 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: (4-ethylphenyl) 4-(2-bromo-4-isopropyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-propan-2-ylphenoxy)butanoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-(2-bromo-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-isopropyl-phenoxy)butyric acid (4-ethylphenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br

InChI

InChI=1S/C21H25BrO3/c1-4-16-7-10-18(11-8-16)25-21(23)6-5-13-24-20-12-9-17(15(2)3)14-19(20)22/h7-12,14-15H,4-6,13H2,1-3H3