ethyl 2-[5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-pyrazol-3-yl]oxyethanoate

Systemtic Name: ethyl 2-[5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-pyrazol-3-yl]oxyethanoate Openeye Name: ethyl 2-[5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-pyrazol-3-yl]oxyacetate CAS Name: 2-[[5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-pyrazolyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methylpyrazol-3-yl]oxyacetate Traditional Name: 2-[5-butyl-4-[4-(2-cyanophenyl)benzyl]-2-methyl-pyrazol-3-yl]oxyacetic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)OCC(=O)OCC)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)OCC(=O)OCC)C

InChI

InChI=1S/C26H29N3O3/c1-4-6-11-24-23(26(29(3)28-24)32-18-25(30)31-5-2)16-19-12-14-20(15-13-19)22-10-8-7-9-21(22)17-27/h7-10,12-15H,4-6,11,16,18H2,1-3H3