ethyl (3S)-3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-quinoxalin-5-ylcarbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-quinoxalin-5-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(2,4-difluorophenyl)methyl]-1-(quinoxaline-5-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2,4-difluorophenyl)methyl]-1-[oxo(5-quinoxalinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2,4-difluorophenyl)methyl]-1-(quinoxaline-5-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2,4-difluorobenzyl)-1-(quinoxaline-5-carbonyl)nipecotic acid ethyl ester Formula: C24H23F2N3O3 MolecularWeight: 439.454526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C3C(=CC=C2)N=CC=N3)CC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=C3C(=CC=C2)N=CC=N3)CC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C24H23F2N3O3/c1-2-32-23(31)24(14-16-7-8-17(25)13-19(16)26)9-4-12-29(15-24)22(30)18-5-3-6-20-21(18)28-11-10-27-20/h3,5-8,10-11,13H,2,4,9,12,14-15H2,1H3/t24-/m0/s1