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

Systemtic Name: ethyl (3S)-3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-propan-2-yl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(2,4-difluorophenyl)methyl]-1-isopropyl-piperidine-3-carboxylate CAS Name: (3S)-3-[(2,4-difluorophenyl)methyl]-1-propan-2-yl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpiperidine-3-carboxylate Traditional Name: (3S)-3-(2,4-difluorobenzyl)-1-isopropyl-nipecotic acid ethyl ester Formula: C18H25F2NO2 MolecularWeight: 325.393406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25F2NO2/c1-4-23-17(22)18(8-5-9-21(12-18)13(2)3)11-14-6-7-15(19)10-16(14)20/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3/t18-/m0/s1