ethyl 1-[1-(2-bromophenyl)-3-cyano-pyrrol-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(2-bromophenyl)-3-cyano-pyrrol-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(2-bromophenyl)-3-cyano-pyrrole-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(2-bromophenyl)-3-cyano-2-pyrrolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2-bromophenyl)-3-cyanopyrrole-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(2-bromophenyl)-3-cyano-pyrrole-2-carbonyl]isonipecotic acid ethyl ester Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CN2C3=CC=CC=C3Br)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CN2C3=CC=CC=C3Br)C#N

InChI

InChI=1S/C20H20BrN3O3/c1-2-27-20(26)14-7-10-23(11-8-14)19(25)18-15(13-22)9-12-24(18)17-6-4-3-5-16(17)21/h3-6,9,12,14H,2,7-8,10-11H2,1H3