2-[4-[3-[3-(2-carboxyphenoxy)-2-propyl-phenoxy]propoxy]-5-ethyl-2-oxidanyl-phenyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[4-[3-[3-(2-carboxyphenoxy)-2-propyl-phenoxy]propoxy]-5-ethyl-2-oxidanyl-phenyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[4-[3-[3-(2-carboxyphenoxy)-2-propyl-phenoxy]propoxy]-5-ethyl-2-hydroxy-phenyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[4-[3-[3-(2-carboxyphenoxy)-2-propylphenoxy]propoxy]-5-ethyl-2-hydroxyphenyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[4-[3-[3-(2-carboxyphenoxy)-2-propylphenoxy]propoxy]-5-ethyl-2-hydroxyphenyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[4-[3-[3-(2-carboxyphenoxy)-2-propyl-phenoxy]propoxy]-5-ethyl-2-hydroxy-phenyl]pyrrolidine-1-carboxylic acid Formula: C32H37NO8 MolecularWeight: 563.63808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3CCCN3C(=O)O)CC)OC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3CCCN3C(=O)O)CC)OC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C32H37NO8/c1-3-10-22-27(14-7-15-28(22)41-29-13-6-5-11-23(29)31(35)36)39-17-9-18-40-30-20-26(34)24(19-21(30)4-2)25-12-8-16-33(25)32(37)38/h5-7,11,13-15,19-20,25,34H,3-4,8-10,12,16-18H2,1-2H3,(H,35,36)(H,37,38)