(E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-pyrazol-1-yl-phenyl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-pyrazol-1-yl-phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-pyrazol-1-yl-phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-(1-pyrazolyl)phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-pyrazol-1-ylphenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-pyrazol-1-yl-phenyl]-2-methyl-acrylic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)N3C=CC=N3)C=C(C)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)N3C=CC=N3)/C=C(\C)/C(=O)O

InChI

InChI=1S/C25H28N2O4/c1-3-4-14-30-15-16-31-23-9-6-20(7-10-23)21-8-11-24(27-13-5-12-26-27)22(18-21)17-19(2)25(28)29/h5-13,17-18H,3-4,14-16H2,1-2H3,(H,28,29)/b19-17+