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

Systemtic Name: 2-[3-[3-(2-ethyl-5-oxidanyl-4-pyrrol-1-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-pyrrol-1-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(1-pyrrolyl)phenoxy]propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-pyrrol-1-ylphenoxy)propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-pyrrol-1-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Formula: C31H33NO6 MolecularWeight: 515.59682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)N3C=CC=C3)O)OC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)N3C=CC=C3)O)OC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H33NO6/c1-3-11-23-27(14-9-15-28(23)38-29-13-6-5-12-24(29)31(34)35)36-18-10-19-37-30-21-26(33)25(20-22(30)4-2)32-16-7-8-17-32/h5-9,12-17,20-21,33H,3-4,10-11,18-19H2,1-2H3,(H,34,35)