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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[2-oxidanylidene-4-(4-phenylpiperidin-1-yl)butyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[2-oxo-4-(4-phenyl-1-piperidyl)butyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[2-oxo-4-(4-phenyl-1-piperidinyl)butyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[2-oxo-4-(4-phenylpiperidin-1-yl)butyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-[2-keto-4-(4-phenylpiperidino)butyl]imidazol-4-yl]propionic acid Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCC(=O)CN3C=C(N=C3)C(CC4=CN=C(C=C4)N)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CCC(=O)CN3C=C(N=C3)C(CC4=CN=C(C=C4)N)C(=O)O

InChI

InChI=1S/C26H31N5O3/c27-25-7-6-19(15-28-25)14-23(26(33)34)24-17-31(18-29-24)16-22(32)10-13-30-11-8-21(9-12-30)20-4-2-1-3-5-20/h1-7,15,17-18,21,23H,8-14,16H2,(H2,27,28)(H,33,34)