3-[4-[[4-[(3-pyrazin-2-ylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-[(3-pyrazin-2-ylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Openeye Name: 3-[4-[[4-[(3-pyrazin-2-ylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid CAS Name: 3-[4-[[4-[[3-(2-pyrazinyl)-1-pyrrolidinyl]methyl]phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-[(3-pyrazin-2-ylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-[(3-pyrazin-2-ylpyrrolidino)methyl]benzyl]oxyphenyl]propionic acid Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=NC=CN=C2)CC3=CC=C(C=C3)COC4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1CN(CC1C2=NC=CN=C2)CC3=CC=C(C=C3)COC4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C25H27N3O3/c29-25(30)10-7-19-5-8-23(9-6-19)31-18-21-3-1-20(2-4-21)16-28-14-11-22(17-28)24-15-26-12-13-27-24/h1-6,8-9,12-13,15,22H,7,10-11,14,16-18H2,(H,29,30)