tert-butyl N-[(2S,3R)-3-oxidanyl-1-phenyl-4-piperazin-1-yl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-3-oxidanyl-1-phenyl-4-piperazin-1-yl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-piperazin-1-yl-propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-1-phenyl-4-(1-piperazinyl)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-3-hydroxy-1-phenyl-4-piperazin-1-ylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-piperazino-propyl]carbamic acid tert-butyl ester Formula: C19H31N3O3 MolecularWeight: 349.46774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN2CCNCC2)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN2CCNCC2)O

InChI

InChI=1S/C19H31N3O3/c1-19(2,3)25-18(24)21-16(13-15-7-5-4-6-8-15)17(23)14-22-11-9-20-10-12-22/h4-8,16-17,20,23H,9-14H2,1-3H3,(H,21,24)/t16-,17+/m0/s1