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

Systemtic Name: ethyl 1-[4-ethyl-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrrol-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-ethyl-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrrole-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-ethyl-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-2-pyrrolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-ethyl-1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-ethyl-1-(3-fluorobenzyl)-3,5-dimethyl-pyrrole-2-carbonyl]isonipecotic acid ethyl ester Formula: C24H31FN2O3 MolecularWeight: 414.512943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=C1C)C(=O)N2CCC(CC2)C(=O)OCC)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CCC1=C(N(C(=C1C)C(=O)N2CCC(CC2)C(=O)OCC)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C24H31FN2O3/c1-5-21-16(3)22(27(17(21)4)15-18-8-7-9-20(25)14-18)23(28)26-12-10-19(11-13-26)24(29)30-6-2/h7-9,14,19H,5-6,10-13,15H2,1-4H3