ethyl (3S)-1-[[5-[(3-ethanoylphenoxy)methyl]-1H-pyrazol-3-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-[(3-ethanoylphenoxy)methyl]-1H-pyrazol-3-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-[(3-acetylphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-[(3-acetylphenoxy)methyl]-1H-pyrazol-3-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[5-[(3-acetylphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-[(3-acetylphenoxy)methyl]-1H-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NNC(=C2)COC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=NNC(=C2)COC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H25N3O5/c1-3-28-21(27)16-7-5-9-24(12-16)20(26)19-11-17(22-23-19)13-29-18-8-4-6-15(10-18)14(2)25/h4,6,8,10-11,16H,3,5,7,9,12-13H2,1-2H3,(H,22,23)/t16-/m0/s1