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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-(3-phenylmethoxypropyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-(3-benzyloxypropyl)imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-(3-phenylmethoxypropyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-(3-phenylmethoxypropyl)imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(3-benzoxypropyl)imidazol-4-yl]propionic acid Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCCCN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C21H24N4O3/c22-20-8-7-17(12-23-20)11-18(21(26)27)19-13-25(15-24-19)9-4-10-28-14-16-5-2-1-3-6-16/h1-3,5-8,12-13,15,18H,4,9-11,14H2,(H2,22,23)(H,26,27)