1-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-oxopyridine-3-carboxylic acid Traditional Name: 1-[2-(2-benzoxy-5-bromo-phenyl)ethyl]-2-keto-nicotinic acid Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CCN3C=CC=C(C3=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CCN3C=CC=C(C3=O)C(=O)O

InChI

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