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

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(4-ethoxyphenoxy)propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(4-ethoxyphenoxy)propanoate CAS Name: 3-(4-ethoxyphenoxy)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-ethoxyphenoxy)propanoate Traditional Name: 3-(4-ethoxyphenoxy)propionic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCC(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCC(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C23H23N3O4/c1-3-28-19-9-11-20(12-10-19)29-14-13-23(27)30-16-22-21(15-24)17(2)25-26(22)18-7-5-4-6-8-18/h4-12H,3,13-14,16H2,1-2H3