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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[2-(4-methoxyphenyl)-2-oxo-ethyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-[2-keto-2-(4-methoxyphenyl)ethyl]imidazol-4-yl]propionic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C20H20N4O4/c1-28-15-5-3-14(4-6-15)18(25)11-24-10-17(23-12-24)16(20(26)27)8-13-2-7-19(21)22-9-13/h2-7,9-10,12,16H,8,11H2,1H3,(H2,21,22)(H,26,27)