ethyl 1-[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-pyrrol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-pyrrol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-pyrrole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methylpyrrole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-pyrrole-3-carbonyl]isonipecotic acid ethyl ester Formula: C26H26ClFN2O3 MolecularWeight: 468.947643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4F)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4F)C

InChI

InChI=1S/C26H26ClFN2O3/c1-3-33-26(32)19-12-14-29(15-13-19)25(31)21-16-24(18-8-10-20(27)11-9-18)30(17(21)2)23-7-5-4-6-22(23)28/h4-11,16,19H,3,12-15H2,1-2H3