[(1R)-1-cyanoethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propionic acid [(1R)-1-cyanoethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)OC(C)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)O[C@H](C)C#N

InChI

InChI=1S/C18H21N3O3/c1-12(11-19)24-18(22)9-8-17-13(2)20-21(14(17)3)15-6-5-7-16(10-15)23-4/h5-7,10,12H,8-9H2,1-4H3/t12-/m1/s1