2-[3-[[(4-pyrazin-2-ylphenyl)methylamino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methylamino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methylamino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[[4-(2-pyrazinyl)phenyl]methylamino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[(4-pyrazin-2-ylbenzyl)amino]methyl]phenoxy]acetic acid Formula: C20H19N3O3 MolecularWeight: 349.38316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)O)CNCC2=CC=C(C=C2)C3=NC=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)CNCC2=CC=C(C=C2)C3=NC=CN=C3

InChI

InChI=1S/C20H19N3O3/c24-20(25)14-26-18-3-1-2-16(10-18)12-22-11-15-4-6-17(7-5-15)19-13-21-8-9-23-19/h1-10,13,22H,11-12,14H2,(H,24,25)