2-[2-(1-butylpyrazol-3-yl)-4-chloranyl-phenoxy]-2-(4-chlorophenyl)ethanoic acid

Systemtic Name: 2-[2-(1-butylpyrazol-3-yl)-4-chloranyl-phenoxy]-2-(4-chlorophenyl)ethanoic acid Openeye Name: 2-[2-(1-butylpyrazol-3-yl)-4-chloro-phenoxy]-2-(4-chlorophenyl)acetic acid CAS Name: 2-[2-(1-butyl-3-pyrazolyl)-4-chlorophenoxy]-2-(4-chlorophenyl)acetic acid IUPAC Name: 2-[2-(1-butylpyrazol-3-yl)-4-chlorophenoxy]-2-(4-chlorophenyl)acetic acid Traditional Name: 2-[2-(1-butylpyrazol-3-yl)-4-chloro-phenoxy]-2-(4-chlorophenyl)acetic acid Formula: C21H20Cl2N2O3 MolecularWeight: 419.3011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N2O3/c1-2-3-11-25-12-10-18(24-25)17-13-16(23)8-9-19(17)28-20(21(26)27)14-4-6-15(22)7-5-14/h4-10,12-13,20H,2-3,11H2,1H3,(H,26,27)