2-[3-[4-[4-(phenylcarbonyl)-2-propyl-phenoxy]butoxy]phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-[4-(phenylcarbonyl)-2-propyl-phenoxy]butoxy]phenyl]ethanoic acid Openeye Name: 2-[3-[4-(4-benzoyl-2-propyl-phenoxy)butoxy]phenyl]acetic acid CAS Name: 2-[3-[4-(4-benzoyl-2-propylphenoxy)butoxy]phenyl]acetic acid IUPAC Name: 2-[3-[4-(4-benzoyl-2-propylphenoxy)butoxy]phenyl]acetic acid Traditional Name: 2-[3-[4-(4-benzoyl-2-propyl-phenoxy)butoxy]phenyl]acetic acid Formula: C28H30O5 MolecularWeight: 446.5348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OCCCCOC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OCCCCOC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C28H30O5/c1-2-9-23-20-24(28(31)22-11-4-3-5-12-22)14-15-26(23)33-17-7-6-16-32-25-13-8-10-21(18-25)19-27(29)30/h3-5,8,10-15,18,20H,2,6-7,9,16-17,19H2,1H3,(H,29,30)