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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=NN4)C=CC(=O)O

Isomeric SMILES

C1CCC(CC1)(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=NN4)/C=C/C(=O)O

InChI

InChI=1S/C25H26N2O3/c28-24(29)14-11-21-17-23(27-26-21)25(15-5-2-6-16-25)20-9-12-22(13-10-20)30-18-19-7-3-1-4-8-19/h1,3-4,7-14,17H,2,5-6,15-16,18H2,(H,26,27)(H,28,29)/b14-11+