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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3=CC=CC=C3

InChI

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