[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)OC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)OC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C16H19N5O3/c1-12(15(22)20-9-3-2-4-10-20)24-16(23)13-5-7-14(8-6-13)21-11-17-18-19-21/h5-8,11-12H,2-4,9-10H2,1H3/t12-/m1/s1