[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C19H19BrN2O4 MolecularWeight: 419.26916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C19H19BrN2O4/c1-12(2)7-18(24)22-16-5-3-13(4-6-16)17(23)11-26-19(25)14-8-15(20)10-21-9-14/h3-6,8-10,12H,7,11H2,1-2H3,(H,22,24)