tert-butyl (3S,4R)-3-ethyl-4-(phenylmethyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4R)-3-ethyl-4-(phenylmethyl)piperidine-1-carboxylate Openeye Name: tert-butyl (3S,4R)-4-benzyl-3-ethyl-piperidine-1-carboxylate CAS Name: (3S,4R)-3-ethyl-4-(phenylmethyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-4-benzyl-3-ethylpiperidine-1-carboxylate Traditional Name: (3S,4R)-4-benzyl-3-ethyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C19H29NO2 MolecularWeight: 303.43906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC[C@@H]1CN(CC[C@H]1CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H29NO2/c1-5-16-14-20(18(21)22-19(2,3)4)12-11-17(16)13-15-9-7-6-8-10-15/h6-10,16-17H,5,11-14H2,1-4H3/t16-,17+/m1/s1