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

Systemtic Name: 2-[3-[3-(2-ethyl-5-oxidanyl-4-pyrrolidin-2-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-pyrrolidin-2-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(2-pyrrolidinyl)phenoxy]propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-pyrrolidin-2-ylphenoxy)propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-pyrrolidin-2-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Formula: C31H37NO6 MolecularWeight: 519.62858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3CCCN3)CC)OC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3CCCN3)CC)OC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H37NO6/c1-3-10-22-27(14-7-15-28(22)38-29-13-6-5-11-23(29)31(34)35)36-17-9-18-37-30-20-26(33)24(19-21(30)4-2)25-12-8-16-32-25/h5-7,11,13-15,19-20,25,32-33H,3-4,8-10,12,16-18H2,1-2H3,(H,34,35)