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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[2-oxo-2-(p-tolyl)ethyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[2-(4-methylphenyl)-2-oxoethyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[2-(4-methylphenyl)-2-oxoethyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-[2-keto-2-(p-tolyl)ethyl]imidazol-4-yl]propionic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C20H20N4O3/c1-13-2-5-15(6-3-13)18(25)11-24-10-17(23-12-24)16(20(26)27)8-14-4-7-19(21)22-9-14/h2-7,9-10,12,16H,8,11H2,1H3,(H2,21,22)(H,26,27)