ethyl (3S)-3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-but-2-ynoyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-but-2-ynoyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-but-2-ynoyl-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(2,4-difluorophenyl)methyl]-1-(1-oxobut-2-ynyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-but-2-ynoyl-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-but-2-ynoyl-3-(2,4-difluorobenzyl)nipecotic acid ethyl ester Formula: C19H21F2NO3 MolecularWeight: 349.371746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C#CC)CC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C#CC)CC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C19H21F2NO3/c1-3-6-17(23)22-10-5-9-19(13-22,18(24)25-4-2)12-14-7-8-15(20)11-16(14)21/h7-8,11H,4-5,9-10,12-13H2,1-2H3/t19-/m0/s1