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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [(1S)-2-oxocyclohexyl] (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-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=C(C=C1)C2=NN(C=C2C=CC(=O)OC3CCCCC3=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)O[C@H]3CCCCC3=O)C4=CC=CC=C4

InChI

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