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

Systemtic Name: tert-butyl (2S)-2-(phenylmethoxymethyl)-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-benzyl-2-(benzyloxymethyl)piperazine-1-carboxylate CAS Name: (2S)-2-(phenylmethoxymethyl)-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-benzyl-2-(phenylmethoxymethyl)piperazine-1-carboxylate Traditional Name: (2S)-2-(benzoxymethyl)-4-benzyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C24H32N2O3 MolecularWeight: 396.52248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1COCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C[C@H]1COCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O3/c1-24(2,3)29-23(27)26-15-14-25(16-20-10-6-4-7-11-20)17-22(26)19-28-18-21-12-8-5-9-13-21/h4-13,22H,14-19H2,1-3H3/t22-/m0/s1