2-[4-[(3-bromanyl-2-oxidanylidene-4-phenylmethoxy-pyridin-1-yl)methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3-bromanyl-2-oxidanylidene-4-phenylmethoxy-pyridin-1-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-benzyloxy-3-bromo-2-oxo-1-pyridyl)methyl]phenyl]acetic acid CAS Name: 2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(3-bromo-2-oxo-4-phenylmethoxypyridin-1-yl)methyl]phenyl]acetic acid Traditional Name: 2-[4-[(4-benzoxy-3-bromo-2-keto-1-pyridyl)methyl]phenyl]acetic acid Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C(=O)N(C=C2)CC3=CC=C(C=C3)CC(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C(=O)N(C=C2)CC3=CC=C(C=C3)CC(=O)O)Br

InChI

InChI=1S/C21H18BrNO4/c22-20-18(27-14-17-4-2-1-3-5-17)10-11-23(21(20)26)13-16-8-6-15(7-9-16)12-19(24)25/h1-11H,12-14H2,(H,24,25)