ethyl 1-(2,5-dimethylfuran-3-yl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2,5-dimethylfuran-3-yl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[(2,5-dimethyl-3-furanyl)-oxomethyl]-3-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(2,5-dimethyl-3-furoyl)-3-(4-fluorobenzyl)nipecotic acid ethyl ester Formula: C22H26FNO4 MolecularWeight: 387.444543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(OC(=C2)C)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(OC(=C2)C)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FNO4/c1-4-27-21(26)22(13-17-6-8-18(23)9-7-17)10-5-11-24(14-22)20(25)19-12-15(2)28-16(19)3/h6-9,12H,4-5,10-11,13-14H2,1-3H3