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

Systemtic Name: [4-(2-methylpropoxycarbonyl)phenyl] 3-bromanyl-4-butoxy-benzoate Openeye Name: (4-isobutoxycarbonylphenyl) 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid [4-[2-methylpropoxy(oxo)methyl]phenyl] ester IUPAC Name: [4-(2-methylpropoxycarbonyl)phenyl] 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (4-isobutoxycarbonylphenyl) ester Formula: C22H25BrO5 MolecularWeight: 449.3349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrO5/c1-4-5-12-26-20-11-8-17(13-19(20)23)22(25)28-18-9-6-16(7-10-18)21(24)27-14-15(2)3/h6-11,13,15H,4-5,12,14H2,1-3H3