ethyl (3S)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]nipecotic acid ethyl ester Formula: C19H24FN3O3 MolecularWeight: 361.410563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C19H24FN3O3/c1-3-26-19(24)13-5-4-8-23(11-13)12-14-10-21-22-18(14)16-7-6-15(25-2)9-17(16)20/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,21,22)/t13-/m0/s1