tert-butyl (2S)-2-(3-oxidanylpropyl)-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(3-oxidanylpropyl)-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-benzyl-2-(3-hydroxypropyl)piperazine-1-carboxylate CAS Name: (2S)-2-(3-hydroxypropyl)-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-benzyl-2-(3-hydroxypropyl)piperazine-1-carboxylate Traditional Name: (2S)-4-benzyl-2-(3-hydroxypropyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H30N2O3 MolecularWeight: 334.4531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CCCO)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C[C@@H]1CCCO)CC2=CC=CC=C2

InChI

InChI=1S/C19H30N2O3/c1-19(2,3)24-18(23)21-12-11-20(15-17(21)10-7-13-22)14-16-8-5-4-6-9-16/h4-6,8-9,17,22H,7,10-15H2,1-3H3/t17-/m0/s1