3-[4-[3-[4-bromanyl-2-(phenylcarbonyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[4-bromanyl-2-(phenylcarbonyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-benzoyl-4-bromo-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-(2-benzoyl-4-bromophenoxy)butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-benzoyl-4-bromophenoxy)butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-(2-benzoyl-4-bromo-phenoxy)butoxy]-2-methyl-phenyl]propionic acid Formula: C27H27BrO5 MolecularWeight: 511.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(C)OC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC(C)OC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3)CCC(=O)O

InChI

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