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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[(4-phenoxyphenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[(4-phenoxyphenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[(4-phenoxyphenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[(4-phenoxyphenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(4-phenoxybenzyl)imidazol-4-yl]propionic acid Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN3C=C(N=C3)C(CC4=CN=C(C=C4)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN3C=C(N=C3)C(CC4=CN=C(C=C4)N)C(=O)O

InChI

InChI=1S/C24H22N4O3/c25-23-11-8-18(13-26-23)12-21(24(29)30)22-15-28(16-27-22)14-17-6-9-20(10-7-17)31-19-4-2-1-3-5-19/h1-11,13,15-16,21H,12,14H2,(H2,25,26)(H,29,30)