2-[3-[[(4-imidazol-1-ylphenyl)methylamino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(4-imidazol-1-ylphenyl)methylamino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(4-imidazol-1-ylphenyl)methylamino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[[4-(1-imidazolyl)phenyl]methylamino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-imidazol-1-ylphenyl)methylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[(4-imidazol-1-ylbenzyl)amino]methyl]phenoxy]acetic acid Formula: C19H19N3O3 MolecularWeight: 337.37246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)O)CNCC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)CNCC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C19H19N3O3/c23-19(24)13-25-18-3-1-2-16(10-18)12-21-11-15-4-6-17(7-5-15)22-9-8-20-14-22/h1-10,14,21H,11-13H2,(H,23,24)