ethyl 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-4-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-4-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-4-oxo-1H-pyridine-3-carboxylate CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-[2-(2-benzoxy-5-bromo-phenyl)ethyl]-4-keto-1H-pyridine-3-carboxylic acid ethyl ester Formula: C23H22BrNO4 MolecularWeight: 456.32908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=CC1=O)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CNC(=CC1=O)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22BrNO4/c1-2-28-23(27)20-14-25-19(13-21(20)26)10-8-17-12-18(24)9-11-22(17)29-15-16-6-4-3-5-7-16/h3-7,9,11-14H,2,8,10,15H2,1H3,(H,25,26)