2-[3-[3-(4-ethanoyl-2-ethyl-5-phenylmethoxy-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid

Systemtic Name: 2-[3-[3-(4-ethanoyl-2-ethyl-5-phenylmethoxy-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-(4-acetyl-5-benzyloxy-2-ethyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-(4-acetyl-2-ethyl-5-phenylmethoxyphenoxy)propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-(4-acetyl-2-ethyl-5-phenylmethoxyphenoxy)propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-(4-acetyl-5-benzoxy-2-ethyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Formula: C36H38O7 MolecularWeight: 582.68272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)OCC3=CC=CC=C3)C(=O)C)CC)OC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)OCC3=CC=CC=C3)C(=O)C)CC)OC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C36H38O7/c1-4-13-28-31(18-11-19-32(28)43-33-17-10-9-16-29(33)36(38)39)40-20-12-21-41-34-23-35(30(25(3)37)22-27(34)5-2)42-24-26-14-7-6-8-15-26/h6-11,14-19,22-23H,4-5,12-13,20-21,24H2,1-3H3,(H,38,39)