ethyl 4-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H26BrN3O3 MolecularWeight: 448.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H26BrN3O3/c1-4-28-21(27)24-11-9-17(10-12-24)23-20(26)19-13-14(2)25(15(19)3)18-7-5-16(22)6-8-18/h5-8,13,17H,4,9-12H2,1-3H3,(H,23,26)