3-(6-azanylpyridin-3-yl)-2-[1-(phenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-(phenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-(1-benzylimidazol-4-yl)propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-(1-benzylimidazol-4-yl)propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-(1-benzylimidazol-4-yl)propionic acid Formula: C18H18N4O2 MolecularWeight: 322.36112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C18H18N4O2/c19-17-7-6-14(9-20-17)8-15(18(23)24)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-7,9,11-12,15H,8,10H2,(H2,19,20)(H,23,24)