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

Systemtic Name: 2-[4-bromanyl-2-[1-(2-phenoxyphenyl)pyrazol-4-yl]carbonyl-phenoxy]propanoic acid Openeye Name: 2-[4-bromo-2-[1-(2-phenoxyphenyl)pyrazole-4-carbonyl]phenoxy]propanoic acid CAS Name: 2-[4-bromo-2-[oxo-[1-(2-phenoxyphenyl)-4-pyrazolyl]methyl]phenoxy]propanoic acid IUPAC Name: 2-[4-bromo-2-[1-(2-phenoxyphenyl)pyrazole-4-carbonyl]phenoxy]propanoic acid Traditional Name: 2-[4-bromo-2-[1-(2-phenoxyphenyl)pyrazole-4-carbonyl]phenoxy]propionic acid Formula: C25H19BrN2O5 MolecularWeight: 507.33276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1)Br)C(=O)C2=CN(N=C2)C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)O)OC1=C(C=C(C=C1)Br)C(=O)C2=CN(N=C2)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C25H19BrN2O5/c1-16(25(30)31)32-22-12-11-18(26)13-20(22)24(29)17-14-27-28(15-17)21-9-5-6-10-23(21)33-19-7-3-2-4-8-19/h2-16H,1H3,(H,30,31)