2-[4-bromanyl-2-[1-(2-phenoxyphenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-[1-(2-phenoxyphenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[1-(2-phenoxyphenyl)pyrazole-4-carbonyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[oxo-[1-(2-phenoxyphenyl)-4-pyrazolyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[1-(2-phenoxyphenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[1-(2-phenoxyphenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Formula: C24H17BrN2O5 MolecularWeight: 493.30618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)Br)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)Br)OCC(=O)O

InChI

InChI=1S/C24H17BrN2O5/c25-17-10-11-21(31-15-23(28)29)19(12-17)24(30)16-13-26-27(14-16)20-8-4-5-9-22(20)32-18-6-2-1-3-7-18/h1-14H,15H2,(H,28,29)