ethyl (3S)-4-[[5-(2-fluoranyl-5-methyl-phenyl)-1,2-oxazol-3-yl]methyl]-3-methyl-piperazine-1-carboxylate

Systemtic Name: ethyl (3S)-4-[[5-(2-fluoranyl-5-methyl-phenyl)-1,2-oxazol-3-yl]methyl]-3-methyl-piperazine-1-carboxylate Openeye Name: ethyl (3S)-4-[[5-(2-fluoro-5-methyl-phenyl)isoxazol-3-yl]methyl]-3-methyl-piperazine-1-carboxylate CAS Name: (3S)-4-[[5-(2-fluoro-5-methylphenyl)-3-isoxazolyl]methyl]-3-methyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]-3-methylpiperazine-1-carboxylate Traditional Name: (3S)-4-[[5-(2-fluoro-5-methyl-phenyl)isoxazol-3-yl]methyl]-3-methyl-piperazine-1-carboxylic acid ethyl ester Formula: C19H24FN3O3 MolecularWeight: 361.410563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C(C1)C)CC2=NOC(=C2)C3=C(C=CC(=C3)C)F

Isomeric SMILES

CCOC(=O)N1CCN([C@H](C1)C)CC2=NOC(=C2)C3=C(C=CC(=C3)C)F

InChI

InChI=1S/C19H24FN3O3/c1-4-25-19(24)23-8-7-22(14(3)11-23)12-15-10-18(26-21-15)16-9-13(2)5-6-17(16)20/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3/t14-/m0/s1