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

Systemtic Name: 2-[3-[[(4-pyrimidin-2-ylphenyl)methylamino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(4-pyrimidin-2-ylphenyl)methylamino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[[4-(2-pyrimidinyl)phenyl]methylamino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-pyrimidin-2-ylphenyl)methylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[[4-(2-pyrimidyl)benzyl]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=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)CNCC2=CC=C(C=C2)C3=NC=CC=N3

InChI

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