[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C23H21BrN2O3 MolecularWeight: 453.32844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C23H21BrN2O3/c24-21-13-20(14-25-15-21)23(28)29-17-22(27)26(16-19-9-5-2-6-10-19)12-11-18-7-3-1-4-8-18/h1-10,13-15H,11-12,16-17H2