3-(6-azanylpyridin-3-yl)-2-[1-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[2-(4-cyanophenyl)-2-oxo-ethyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[2-(4-cyanophenyl)-2-oxoethyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[2-(4-cyanophenyl)-2-oxoethyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-[2-(4-cyanophenyl)-2-keto-ethyl]imidazol-4-yl]propionic acid Formula: C20H17N5O3 MolecularWeight: 375.38068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C20H17N5O3/c21-8-13-1-4-15(5-2-13)18(26)11-25-10-17(24-12-25)16(20(27)28)7-14-3-6-19(22)23-9-14/h1-6,9-10,12,16H,7,11H2,(H2,22,23)(H,27,28)