[(E)-3-phenylprop-2-enyl] (3S)-5-methyl-3-[[[(E)-3-phenylprop-2-enoxy]carbonylamino]methyl]hexanoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] (3S)-5-methyl-3-[[[(E)-3-phenylprop-2-enoxy]carbonylamino]methyl]hexanoate Openeye Name: [(E)-cinnamyl] (3S)-3-[[[(E)-cinnamyl]oxycarbonylamino]methyl]-5-methyl-hexanoate CAS Name: (3S)-5-methyl-3-[[[oxo-[(E)-3-phenylprop-2-enoxy]methyl]amino]methyl]hexanoic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] (3S)-5-methyl-3-[[[(E)-3-phenylprop-2-enoxy]carbonylamino]methyl]hexanoate Traditional Name: (3S)-3-[[[(E)-cinnamyl]oxycarbonylamino]methyl]-5-methyl-hexanoic acid [(E)-cinnamyl] ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OCC=CC1=CC=CC=C1)CNC(=O)OCC=CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](CC(=O)OC/C=C/C1=CC=CC=C1)CNC(=O)OC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C27H33NO4/c1-22(2)19-25(20-26(29)31-17-9-15-23-11-5-3-6-12-23)21-28-27(30)32-18-10-16-24-13-7-4-8-14-24/h3-16,22,25H,17-21H2,1-2H3,(H,28,30)/b15-9+,16-10+/t25-/m0/s1