[4-(2-methylbutan-2-yl)phenyl] 3-bromanyl-4-butoxy-benzoate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 3-bromanyl-4-butoxy-benzoate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (4-tert-amylphenyl) ester Formula: C22H27BrO3 MolecularWeight: 419.35198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C)(C)CC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C)(C)CC)Br

InChI

InChI=1S/C22H27BrO3/c1-5-7-14-25-20-13-8-16(15-19(20)23)21(24)26-18-11-9-17(10-12-18)22(3,4)6-2/h8-13,15H,5-7,14H2,1-4H3