4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 4-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 4-[2-(2-benzoxy-5-bromo-phenyl)ethyl]-2-keto-1H-pyridine-3-carboxylic 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)CCC3=C(C(=O)NC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CCC3=C(C(=O)NC=C3)C(=O)O

InChI

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