[(2R)-1-methoxypropan-2-yl] (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate

Systemtic Name: [(2R)-1-methoxypropan-2-yl] (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate Openeye Name: [(1R)-2-methoxy-1-methyl-ethyl] (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-phenyl-4-pyrazolyl)-2-propenoic acid [(2R)-1-methoxypropan-2-yl] ester IUPAC Name: [(2R)-1-methoxypropan-2-yl] (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-phenylpyrazol-4-yl)acrylic acid [(1R)-2-methoxy-1-methyl-ethyl] ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC(=O)C(=CC1=CN(N=C1)C2=CC=CC=C2)C#N

Isomeric SMILES

C[C@H](COC)OC(=O)/C(=C/C1=CN(N=C1)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C17H17N3O3/c1-13(12-22-2)23-17(21)15(9-18)8-14-10-19-20(11-14)16-6-4-3-5-7-16/h3-8,10-11,13H,12H2,1-2H3/b15-8+/t13-/m1/s1