(phenylmethyl) 1-[(6-bromanylpyridin-3-yl)methyl]-2-butyl-6-oxidanylidene-pyridine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-[(6-bromanylpyridin-3-yl)methyl]-2-butyl-6-oxidanylidene-pyridine-4-carboxylate Openeye Name: benzyl 1-[(6-bromo-3-pyridyl)methyl]-2-butyl-6-oxo-pyridine-4-carboxylate CAS Name: 1-[(6-bromo-3-pyridinyl)methyl]-2-butyl-6-oxo-4-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(6-bromopyridin-3-yl)methyl]-2-butyl-6-oxopyridine-4-carboxylate Traditional Name: 1-[(6-bromo-3-pyridyl)methyl]-2-butyl-6-keto-isonicotinic acid benzyl ester Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=O)N1CC2=CN=C(C=C2)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=CC(=O)N1CC2=CN=C(C=C2)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23BrN2O3/c1-2-3-9-20-12-19(23(28)29-16-17-7-5-4-6-8-17)13-22(27)26(20)15-18-10-11-21(24)25-14-18/h4-8,10-14H,2-3,9,15-16H2,1H3