[(2R)-1-methoxypropan-2-yl] (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(2R)-1-methoxypropan-2-yl] (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [(1R)-2-methoxy-1-methyl-ethyl] (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [(2R)-1-methoxypropan-2-yl] ester IUPAC Name: [(2R)-1-methoxypropan-2-yl] (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [(1R)-2-methoxy-1-methyl-ethyl] ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OC(C)COC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)O[C@H](C)COC)C3=CC=CC=C3)C

InChI

InChI=1S/C25H25N3O3/c1-17-10-11-23(18(2)12-17)24-21(15-28(27-24)22-8-6-5-7-9-22)13-20(14-26)25(29)31-19(3)16-30-4/h5-13,15,19H,16H2,1-4H3/b20-13+/t19-/m1/s1