2-[4-bromanyl-2-(1-naphthalen-1-ylpyrazol-4-yl)carbonyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-(1-naphthalen-1-ylpyrazol-4-yl)carbonyl-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[1-(1-naphthyl)pyrazole-4-carbonyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[[1-(1-naphthalenyl)-4-pyrazolyl]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-(1-naphthalen-1-ylpyrazole-4-carbonyl)phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[1-(1-naphthyl)pyrazole-4-carbonyl]phenoxy]acetic acid Formula: C22H15BrN2O4 MolecularWeight: 451.2695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)Br)OCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)Br)OCC(=O)O

InChI

InChI=1S/C22H15BrN2O4/c23-16-8-9-20(29-13-21(26)27)18(10-16)22(28)15-11-24-25(12-15)19-7-3-5-14-4-1-2-6-17(14)19/h1-12H,13H2,(H,26,27)