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

Systemtic Name: [3-(2-methylpropoxycarbonyl)phenyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: (3-isobutoxycarbonylphenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [3-[2-methylpropoxy(oxo)methyl]phenyl] ester IUPAC Name: [3-(2-methylpropoxycarbonyl)phenyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (3-isobutoxycarbonylphenyl) ester Formula: C24H29BrO5 MolecularWeight: 477.38806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCC(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCC(C)C)Br

InChI

InChI=1S/C24H29BrO5/c1-4-5-6-7-13-28-22-12-11-19(15-21(22)25)24(27)30-20-10-8-9-18(14-20)23(26)29-16-17(2)3/h8-12,14-15,17H,4-7,13,16H2,1-3H3