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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[(4-cyanophenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[(4-cyanophenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[(4-cyanophenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[(4-cyanophenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(4-cyanobenzyl)imidazol-4-yl]propionic acid Formula: C19H17N5O2 MolecularWeight: 347.37058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O)C#N

InChI

InChI=1S/C19H17N5O2/c20-8-13-1-3-14(4-2-13)10-24-11-17(23-12-24)16(19(25)26)7-15-5-6-18(21)22-9-15/h1-6,9,11-12,16H,7,10H2,(H2,21,22)(H,25,26)