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

Systemtic Name: (E)-3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[5-(4-benzyloxyphenyl)-1-cyclohexyl-pyrazol-3-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)-3-pyrazolyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[5-(4-benzoxyphenyl)-1-cyclohexyl-pyrazol-3-yl]-2-methyl-acrylic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=NN(C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCCCC4)C(=O)O

Isomeric SMILES

C/C(=C\C1=NN(C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCCCC4)/C(=O)O

InChI

InChI=1S/C26H28N2O3/c1-19(26(29)30)16-22-17-25(28(27-22)23-10-6-3-7-11-23)21-12-14-24(15-13-21)31-18-20-8-4-2-5-9-20/h2,4-5,8-9,12-17,23H,3,6-7,10-11,18H2,1H3,(H,29,30)/b19-16+