(3-phenethyloxycarbonylphenyl) 5-bromanyl-2-(3-methylbutoxy)benzoate

Systemtic Name: (3-phenethyloxycarbonylphenyl) 5-bromanyl-2-(3-methylbutoxy)benzoate Openeye Name: (3-phenethyloxycarbonylphenyl) 5-bromo-2-isopentyloxy-benzoate CAS Name: 5-bromo-2-(3-methylbutoxy)benzoic acid [3-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (3-phenethyloxycarbonylphenyl) 5-bromo-2-(3-methylbutoxy)benzoate Traditional Name: 5-bromo-2-isoamoxy-benzoic acid (3-phenethyloxycarbonylphenyl) ester Formula: C27H27BrO5 MolecularWeight: 511.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H27BrO5/c1-19(2)13-15-31-25-12-11-22(28)18-24(25)27(30)33-23-10-6-9-21(17-23)26(29)32-16-14-20-7-4-3-5-8-20/h3-12,17-19H,13-16H2,1-2H3