(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

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