ethyl 1-[3-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(tetrazol-1-yl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3-(1-tetrazolyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(tetrazol-1-yl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(tetrazol-1-yl)benzoyl]isonipecotic acid ethyl ester Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C=NN=N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C=NN=N3

InChI

InChI=1S/C16H19N5O3/c1-2-24-16(23)12-6-8-20(9-7-12)15(22)13-4-3-5-14(10-13)21-11-17-18-19-21/h3-5,10-12H,2,6-9H2,1H3