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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[(4-chlorophenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(4-chlorobenzyl)imidazol-4-yl]propionic acid Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O2/c19-14-4-1-12(2-5-14)9-23-10-16(22-11-23)15(18(24)25)7-13-3-6-17(20)21-8-13/h1-6,8,10-11,15H,7,9H2,(H2,20,21)(H,24,25)