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

Systemtic Name: tert-butyl N-[(2S,3R)-3-oxidanyl-1-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-1-benzyl-3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-1-phenyl-4-[4-(phenylmethyl)-1-piperazinyl]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-3-(4-benzylpiperazino)-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C26H37N3O3 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN2CCN(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN2CCN(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C26H37N3O3/c1-26(2,3)32-25(31)27-23(18-21-10-6-4-7-11-21)24(30)20-29-16-14-28(15-17-29)19-22-12-8-5-9-13-22/h4-13,23-24,30H,14-20H2,1-3H3,(H,27,31)/t23-,24+/m0/s1