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

Systemtic Name: (E)-3-[1-cyclohexyl-4-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(4-benzyloxyphenyl)-1-cyclohexyl-4-phenyl-pyrazol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-cyclohexyl-4-phenyl-5-(4-phenylmethoxyphenyl)-3-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-cyclohexyl-4-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(4-benzoxyphenyl)-1-cyclohexyl-4-phenyl-pyrazol-3-yl]acrylic acid Formula: C31H30N2O3 MolecularWeight: 478.5815

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=C(C(=N2)C=CC(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=C(C(=N2)/C=C/C(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H30N2O3/c34-29(35)21-20-28-30(24-12-6-2-7-13-24)31(33(32-28)26-14-8-3-9-15-26)25-16-18-27(19-17-25)36-22-23-10-4-1-5-11-23/h1-2,4-7,10-13,16-21,26H,3,8-9,14-15,22H2,(H,34,35)/b21-20+