ethyl 1-(5-ethanoylthiophen-3-yl)carbonyl-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(5-ethanoylthiophen-3-yl)carbonyl-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(5-acetylthiophene-3-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[(5-acetyl-3-thiophenyl)-oxomethyl]-3-[(2-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-acetylthiophene-3-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(5-acetylthiophene-3-carbonyl)-3-(2-fluorobenzyl)nipecotic acid ethyl ester Formula: C22H24FNO4S MolecularWeight: 417.493663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CSC(=C2)C(=O)C)CC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CSC(=C2)C(=O)C)CC3=CC=CC=C3F

InChI

InChI=1S/C22H24FNO4S/c1-3-28-21(27)22(12-16-7-4-5-8-18(16)23)9-6-10-24(14-22)20(26)17-11-19(15(2)25)29-13-17/h4-5,7-8,11,13H,3,6,9-10,12,14H2,1-2H3