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

Systemtic Name: 2-[4-chloranyl-2-[1-(phenylmethyl)pyrazol-3-yl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[2-(1-benzylpyrazol-3-yl)-4-chloro-phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-chloro-2-[1-(phenylmethyl)-3-pyrazolyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[2-(1-benzylpyrazol-3-yl)-4-chlorophenoxy]-2-phenylacetic acid Traditional Name: 2-[2-(1-benzylpyrazol-3-yl)-4-chloro-phenoxy]-2-phenyl-acetic acid Formula: C24H19ClN2O3 MolecularWeight: 418.87226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=N2)C3=C(C=CC(=C3)Cl)OC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=N2)C3=C(C=CC(=C3)Cl)OC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H19ClN2O3/c25-19-11-12-22(30-23(24(28)29)18-9-5-2-6-10-18)20(15-19)21-13-14-27(26-21)16-17-7-3-1-4-8-17/h1-15,23H,16H2,(H,28,29)