(E)-2-phenoxy-2-[phenyl(pyridin-3-yl)methyl]-5-pyrazol-1-yl-pent-3-enoic acid

Systemtic Name: (E)-2-phenoxy-2-[phenyl(pyridin-3-yl)methyl]-5-pyrazol-1-yl-pent-3-enoic acid Openeye Name: (E)-2-phenoxy-2-[phenyl(3-pyridyl)methyl]-5-pyrazol-1-yl-pent-3-enoic acid CAS Name: (E)-2-phenoxy-2-[phenyl(3-pyridinyl)methyl]-5-(1-pyrazolyl)-3-pentenoic acid IUPAC Name: (E)-2-phenoxy-2-[phenyl(pyridin-3-yl)methyl]-5-pyrazol-1-ylpent-3-enoic acid Traditional Name: (E)-2-phenoxy-2-[phenyl(3-pyridyl)methyl]-5-pyrazol-1-yl-pent-3-enoic acid Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CN=CC=C2)C(C=CCN3C=CC=N3)(C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CN=CC=C2)C(/C=C/CN3C=CC=N3)(C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3/c30-25(31)26(32-23-13-5-2-6-14-23,15-8-18-29-19-9-17-28-29)24(21-10-3-1-4-11-21)22-12-7-16-27-20-22/h1-17,19-20,24H,18H2,(H,30,31)/b15-8+