[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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