[(1R)-1-cyanoethyl] 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-15(12-23)29-22(26)18-14-25(13-16-7-5-4-6-8-16)24-21(18)17-9-10-19(27-2)20(11-17)28-3/h4-11,14-15H,13H2,1-3H3/t15-/m1/s1