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

Systemtic Name: [(2R)-1-methoxypropan-2-yl] (E)-2-cyano-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1R)-2-methoxy-1-methyl-ethyl] (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(2R)-1-methoxypropan-2-yl] ester IUPAC Name: [(2R)-1-methoxypropan-2-yl] (E)-3-(1-benzylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-acrylic acid [(1R)-2-methoxy-1-methyl-ethyl] ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC(=O)C(=CC1=CN(N=C1)CC2=CC=CC=C2)C#N

Isomeric SMILES

C[C@H](COC)OC(=O)/C(=C/C1=CN(N=C1)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C18H19N3O3/c1-14(13-23-2)24-18(22)17(9-19)8-16-10-20-21(12-16)11-15-6-4-3-5-7-15/h3-8,10,12,14H,11,13H2,1-2H3/b17-8+/t14-/m1/s1