(2S,3R)-5-methyl-3-[4-(2-phenethyloxyethyl)piperazin-1-yl]carbonyl-2-propyl-hexanamide

Systemtic Name: (2S,3R)-5-methyl-3-[4-(2-phenethyloxyethyl)piperazin-1-yl]carbonyl-2-propyl-hexanamide Openeye Name: (2S,3R)-5-methyl-3-[4-(2-phenethyloxyethyl)piperazine-1-carbonyl]-2-propyl-hexanamide CAS Name: (2S,3R)-5-methyl-3-[oxo-[4-(2-phenethyloxyethyl)-1-piperazinyl]methyl]-2-propylhexanamide IUPAC Name: (2S,3R)-5-methyl-3-[4-(2-phenethyloxyethyl)piperazine-1-carbonyl]-2-propylhexanamide Traditional Name: (2S,3R)-5-methyl-3-[4-(2-phenethyloxyethyl)piperazine-1-carbonyl]-2-propyl-hexanamide Formula: C25H41N3O3 MolecularWeight: 431.61134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCN(CC1)CCOCCC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCN(CC1)CCOCCC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C25H41N3O3/c1-4-8-22(24(26)29)23(19-20(2)3)25(30)28-14-12-27(13-15-28)16-18-31-17-11-21-9-6-5-7-10-21/h5-7,9-10,20,22-23H,4,8,11-19H2,1-3H3,(H2,26,29)/t22-,23+/m0/s1