methyl 2-[2-(1-butylpyrazol-3-yl)-4-chloranyl-phenoxy]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[2-(1-butylpyrazol-3-yl)-4-chloranyl-phenoxy]-2-phenyl-ethanoate Openeye Name: methyl 2-[2-(1-butylpyrazol-3-yl)-4-chloro-phenoxy]-2-phenyl-acetate CAS Name: 2-[2-(1-butyl-3-pyrazolyl)-4-chlorophenoxy]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[2-(1-butylpyrazol-3-yl)-4-chlorophenoxy]-2-phenylacetate Traditional Name: 2-[2-(1-butylpyrazol-3-yl)-4-chloro-phenoxy]-2-phenyl-acetic acid methyl ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=N1)C2=C(C=CC(=C2)Cl)OC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCN1C=CC(=N1)C2=C(C=CC(=C2)Cl)OC(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H23ClN2O3/c1-3-4-13-25-14-12-19(24-25)18-15-17(23)10-11-20(18)28-21(22(26)27-2)16-8-6-5-7-9-16/h5-12,14-15,21H,3-4,13H2,1-2H3