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

Systemtic Name: ethyl (3S)-1-[[5-(phenoxymethyl)-1H-pyrazol-3-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-(phenoxymethyl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[5-(phenoxymethyl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(phenoxymethyl)-1H-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4/c1-2-25-19(24)14-7-6-10-22(12-14)18(23)17-11-15(20-21-17)13-26-16-8-4-3-5-9-16/h3-5,8-9,11,14H,2,6-7,10,12-13H2,1H3,(H,20,21)/t14-/m0/s1