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

Systemtic Name: (E)-3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(4-benzyloxyphenyl)-1-cyclohexyl-pyrazol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)-3-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(4-benzoxyphenyl)-1-cyclohexyl-pyrazol-3-yl]acrylic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=CC(=N2)C=CC(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=CC(=N2)/C=C/C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3/c28-25(29)16-13-21-17-24(27(26-21)22-9-5-2-6-10-22)20-11-14-23(15-12-20)30-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-17,22H,2,5-6,9-10,18H2,(H,28,29)/b16-13+