methyl 4-[(3-bromanyl-2-oxidanylidene-4-phenylmethoxy-pyridin-1-yl)methyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=CC(=C(C2=O)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=CC(=C(C2=O)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO4/c1-26-21(25)17-9-7-15(8-10-17)13-23-12-11-18(19(22)20(23)24)27-14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3