hexyl (3R,4R)-1-ethyl-4-phenyl-piperidine-3-carboxylate

Systemtic Name: hexyl (3R,4R)-1-ethyl-4-phenyl-piperidine-3-carboxylate Openeye Name: hexyl (3R,4R)-1-ethyl-4-phenyl-piperidine-3-carboxylate CAS Name: (3R,4R)-1-ethyl-4-phenyl-3-piperidinecarboxylic acid hexyl ester IUPAC Name: hexyl (3R,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate Traditional Name: (3R,4R)-1-ethyl-4-phenyl-nipecotic acid hexyl ester Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1CN(CCC1C2=CC=CC=C2)CC

Isomeric SMILES

CCCCCCOC(=O)[C@H]1CN(CC[C@H]1C2=CC=CC=C2)CC

InChI

InChI=1S/C20H31NO2/c1-3-5-6-10-15-23-20(22)19-16-21(4-2)14-13-18(19)17-11-8-7-9-12-17/h7-9,11-12,18-19H,3-6,10,13-16H2,1-2H3/t18-,19-/m0/s1