(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN3)Br

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C18H19BrN2O3/c19-14-11-15(20-12-14)18(23)24-16(13-7-3-1-4-8-13)17(22)21-9-5-2-6-10-21/h1,3-4,7-8,11-12,16,20H,2,5-6,9-10H2