2-[4-(dipyridin-3-ylmethyl)pyrazol-1-yl]-2-phenoxy-pentanoic acid

Systemtic Name: 2-[4-(dipyridin-3-ylmethyl)pyrazol-1-yl]-2-phenoxy-pentanoic acid Openeye Name: 2-[4-[bis(3-pyridyl)methyl]pyrazol-1-yl]-2-phenoxy-pentanoic acid CAS Name: 2-[4-[bis(3-pyridinyl)methyl]-1-pyrazolyl]-2-phenoxypentanoic acid IUPAC Name: 2-[4-(dipyridin-3-ylmethyl)pyrazol-1-yl]-2-phenoxypentanoic acid Traditional Name: 2-[4-[bis(3-pyridyl)methyl]pyrazol-1-yl]-2-phenoxy-valeric acid Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)(N1C=C(C=N1)C(C2=CN=CC=C2)C3=CN=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCC(C(=O)O)(N1C=C(C=N1)C(C2=CN=CC=C2)C3=CN=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3/c1-2-12-25(24(30)31,32-22-10-4-3-5-11-22)29-18-21(17-28-29)23(19-8-6-13-26-15-19)20-9-7-14-27-16-20/h3-11,13-18,23H,2,12H2,1H3,(H,30,31)