2-[4-[(E)-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]prop-2-enoyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-1-oxo-3-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)prop-2-enyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]acryloyl]phenoxy]acetic acid Formula: C25H19N3O4 MolecularWeight: 425.43606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C=CC(=O)C4=CC=C(C=C4)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)/C=C/C(=O)C4=CC=C(C=C4)OCC(=O)O

InChI

InChI=1S/C25H19N3O4/c29-23(18-6-9-22(10-7-18)32-17-24(30)31)11-8-20-16-28(21-4-2-1-3-5-21)27-25(20)19-12-14-26-15-13-19/h1-16H,17H2,(H,30,31)/b11-8+