3-[2-[3-[3-(4-cyanophenoxy)pyrrolidin-1-yl]-2-oxidanyl-propoxy]phenyl]propanoic acid

Systemtic Name: 3-[2-[3-[3-(4-cyanophenoxy)pyrrolidin-1-yl]-2-oxidanyl-propoxy]phenyl]propanoic acid Openeye Name: 3-[2-[3-[3-(4-cyanophenoxy)pyrrolidin-1-yl]-2-hydroxy-propoxy]phenyl]propanoic acid CAS Name: 3-[2-[3-[3-(4-cyanophenoxy)-1-pyrrolidinyl]-2-hydroxypropoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[3-[3-(4-cyanophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]propanoic acid Traditional Name: 3-[2-[3-[3-(4-cyanophenoxy)pyrrolidino]-2-hydroxy-propoxy]phenyl]propionic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC2=CC=C(C=C2)C#N)CC(COC3=CC=CC=C3CCC(=O)O)O

Isomeric SMILES

C1CN(CC1OC2=CC=C(C=C2)C#N)CC(COC3=CC=CC=C3CCC(=O)O)O

InChI

InChI=1S/C23H26N2O5/c24-13-17-5-8-20(9-6-17)30-21-11-12-25(15-21)14-19(26)16-29-22-4-2-1-3-18(22)7-10-23(27)28/h1-6,8-9,19,21,26H,7,10-12,14-16H2,(H,27,28)