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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)O)CCCN2C=C(C=N2)C(C3=CN=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)CCCN2C=C(C=N2)C(C3=CN=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H24N4O3/c30-24(31)18-32-23-9-1-5-19(13-23)6-4-12-29-17-22(16-28-29)25(20-7-2-10-26-14-20)21-8-3-11-27-15-21/h1-3,5,7-11,13-17,25H,4,6,12,18H2,(H,30,31)