3-[4-[3-[4-ethyl-2-(phenylcarbonyl)phenoxy]hexoxy]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[4-ethyl-2-(phenylcarbonyl)phenoxy]hexoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-benzoyl-4-ethyl-phenoxy)hexoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-(2-benzoyl-4-ethylphenoxy)hexoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-benzoyl-4-ethylphenoxy)hexoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-(2-benzoyl-4-ethyl-phenoxy)hexoxy]-2-methyl-phenyl]propionic acid Formula: C31H36O5 MolecularWeight: 488.61454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOC1=CC(=C(C=C1)CCC(=O)O)C)OC2=C(C=C(C=C2)CC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(CCOC1=CC(=C(C=C1)CCC(=O)O)C)OC2=C(C=C(C=C2)CC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C31H36O5/c1-4-9-26(18-19-35-27-15-13-24(22(3)20-27)14-17-30(32)33)36-29-16-12-23(5-2)21-28(29)31(34)25-10-7-6-8-11-25/h6-8,10-13,15-16,20-21,26H,4-5,9,14,17-19H2,1-3H3,(H,32,33)