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

Systemtic Name: ethyl 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]nipecotic acid ethyl ester Formula: C21H25FN2O3 MolecularWeight: 372.433203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H25FN2O3/c1-4-27-21(26)16-6-5-11-23(13-16)20(25)19-12-14(2)24(15(19)3)18-9-7-17(22)8-10-18/h7-10,12,16H,4-6,11,13H2,1-3H3