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

Systemtic Name: [(E)-3-phenylprop-2-enyl] (3S)-5-methyl-3-(phenylmethoxycarbonylaminomethyl)hexanoate Openeye Name: [(E)-cinnamyl] (3S)-3-(benzyloxycarbonylaminomethyl)-5-methyl-hexanoate CAS Name: (3S)-5-methyl-3-(phenylmethoxycarbonylaminomethyl)hexanoic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] (3S)-5-methyl-3-(phenylmethoxycarbonylaminomethyl)hexanoate Traditional Name: (3S)-3-(benzyloxycarbonylaminomethyl)-5-methyl-hexanoic acid [(E)-cinnamyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OCC=CC1=CC=CC=C1)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](CC(=O)OC/C=C/C1=CC=CC=C1)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31NO4/c1-20(2)16-23(18-26-25(28)30-19-22-12-7-4-8-13-22)17-24(27)29-15-9-14-21-10-5-3-6-11-21/h3-14,20,23H,15-19H2,1-2H3,(H,26,28)/b14-9+/t23-/m0/s1