(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(4-methoxyphenoxy)propanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(4-methoxyphenoxy)propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(4-methoxyphenoxy)propanoate CAS Name: 3-(4-methoxyphenoxy)propanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-(4-methoxyphenoxy)propanoate Traditional Name: 3-(4-methoxyphenoxy)propionic 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)CCOC2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CCOC2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-16-20(14-23)21(25(24-16)17-6-4-3-5-7-17)15-29-22(26)12-13-28-19-10-8-18(27-2)9-11-19/h3-11H,12-13,15H2,1-2H3