[(1S)-2-oxidanylidenecyclohexyl] (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [(1S)-2-oxocyclohexyl] (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (E)-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [(1S)-2-ketocyclohexyl] ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C=CC(=O)OC3CCCCC3=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2/C=C/C(=O)O[C@H]3CCCCC3=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4/c1-30-22-13-7-5-11-20(22)25-18(17-27(26-25)19-9-3-2-4-10-19)15-16-24(29)31-23-14-8-6-12-21(23)28/h2-5,7,9-11,13,15-17,23H,6,8,12,14H2,1H3/b16-15+/t23-/m0/s1