ethyl 4-(2,3,4,5,6-pentadeuteriophenyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(2,3,4,5,6-pentadeuteriophenyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(2,3,4,5,6-pentadeuteriophenyl)piperidine-4-carboxylate CAS Name: 4-(2,3,4,5,6-pentadeuteriophenyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3,4,5,6-pentadeuteriophenyl)piperidine-4-carboxylate Traditional Name: 4-(2,3,4,5,6-pentadeuteriophenyl)isonipecotic acid ethyl ester Formula: C14H19NO2 MolecularWeight: 238.336969

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCNCC1)C2=CC=CC=C2

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C2(CCNCC2)C(=O)OCC)[2H])[2H]

InChI

InChI=1S/C14H19NO2/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3/i3D,4D,5D,6D,7D