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

Systemtic Name: tert-butyl 4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: tert-butyl 4-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylate CAS Name: 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 4-[2-(2-benzoxy-5-bromo-phenyl)ethyl]-2-keto-1H-pyridine-3-carboxylic acid tert-butyl ester Formula: C25H26BrNO4 MolecularWeight: 484.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CNC1=O)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CNC1=O)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26BrNO4/c1-25(2,3)31-24(29)22-18(13-14-27-23(22)28)9-10-19-15-20(26)11-12-21(19)30-16-17-7-5-4-6-8-17/h4-8,11-15H,9-10,16H2,1-3H3,(H,27,28)