tert-butyl (3S)-3-[(1S)-1-oxidanylethyl]-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(1S)-1-oxidanylethyl]-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl (3S)-4-benzyl-3-[(1S)-1-hydroxyethyl]piperazine-1-carboxylate CAS Name: (3S)-3-[(1S)-1-hydroxyethyl]-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-benzyl-3-[(1S)-1-hydroxyethyl]piperazine-1-carboxylate Traditional Name: (3S)-4-benzyl-3-[(1S)-1-hydroxyethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(CCN1CC2=CC=CC=C2)C(=O)OC(C)(C)C)O

Isomeric SMILES

C[C@@H]([C@@H]1CN(CCN1CC2=CC=CC=C2)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C18H28N2O3/c1-14(21)16-13-20(17(22)23-18(2,3)4)11-10-19(16)12-15-8-6-5-7-9-15/h5-9,14,16,21H,10-13H2,1-4H3/t14-,16-/m0/s1