2-[3-[3-(2-ethyl-5-phenylmethoxy-4-pyrrol-1-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid

Systemtic Name: 2-[3-[3-(2-ethyl-5-phenylmethoxy-4-pyrrol-1-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-(5-benzyloxy-2-ethyl-4-pyrrol-1-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-[2-ethyl-5-phenylmethoxy-4-(1-pyrrolyl)phenoxy]propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-(2-ethyl-5-phenylmethoxy-4-pyrrol-1-ylphenoxy)propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-(5-benzoxy-2-ethyl-4-pyrrol-1-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Formula: C38H39NO6 MolecularWeight: 605.71936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)N3C=CC=C3)OCC4=CC=CC=C4)OC5=CC=CC=C5C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)N3C=CC=C3)OCC4=CC=CC=C4)OC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C38H39NO6/c1-3-14-30-33(19-12-20-34(30)45-35-18-9-8-17-31(35)38(40)41)42-23-13-24-43-36-26-37(44-27-28-15-6-5-7-16-28)32(25-29(36)4-2)39-21-10-11-22-39/h5-12,15-22,25-26H,3-4,13-14,23-24,27H2,1-2H3,(H,40,41)