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

Systemtic Name: 2-[2-(1-butylpyrazol-3-yl)-4-chloranyl-phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[2-(1-butylpyrazol-3-yl)-4-chloro-phenoxy]-2-phenyl-acetic acid CAS Name: 2-[2-(1-butyl-3-pyrazolyl)-4-chlorophenoxy]-2-phenylacetic acid IUPAC Name: 2-[2-(1-butylpyrazol-3-yl)-4-chlorophenoxy]-2-phenylacetic acid Traditional Name: 2-[2-(1-butylpyrazol-3-yl)-4-chloro-phenoxy]-2-phenyl-acetic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c1-2-3-12-24-13-11-18(23-24)17-14-16(22)9-10-19(17)27-20(21(25)26)15-7-5-4-6-8-15/h4-11,13-14,20H,2-3,12H2,1H3,(H,25,26)