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

Systemtic Name: (2S,3R)-5-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-5-methyl-3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-2-propylhexanamide IUPAC Name: (2S,3R)-5-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-2-propylhexanamide Traditional Name: (2S,3R)-3-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide Formula: C24H37N3O2 MolecularWeight: 399.56948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O2/c1-4-9-21(23(25)28)22(18-19(2)3)24(29)27-16-14-26(15-17-27)13-8-12-20-10-6-5-7-11-20/h5-8,10-12,19,21-22H,4,9,13-18H2,1-3H3,(H2,25,28)/b12-8+/t21-,22+/m0/s1