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

Systemtic Name: tert-butyl N-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(4-methylpiperazino)propyl]carbamic acid tert-butyl ester Formula: C20H33N3O3 MolecularWeight: 363.49432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN2CCN(CC2)C)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN2CCN(CC2)C)O

InChI

InChI=1S/C20H33N3O3/c1-20(2,3)26-19(25)21-17(14-16-8-6-5-7-9-16)18(24)15-23-12-10-22(4)11-13-23/h5-9,17-18,24H,10-15H2,1-4H3,(H,21,25)/t17-,18+/m0/s1