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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[(2-methylphenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-(o-tolylmethyl)imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[(2-methylphenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[(2-methylphenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(2-methylbenzyl)imidazol-4-yl]propionic acid Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C19H20N4O2/c1-13-4-2-3-5-15(13)10-23-11-17(22-12-23)16(19(24)25)8-14-6-7-18(20)21-9-14/h2-7,9,11-12,16H,8,10H2,1H3,(H2,20,21)(H,24,25)