methyl (E)-6-phenyl-5-[2-(phenylmethoxycarbonylamino)ethanoylamino]hex-3-enoate

Systemtic Name: methyl (E)-6-phenyl-5-[2-(phenylmethoxycarbonylamino)ethanoylamino]hex-3-enoate Openeye Name: methyl (E)-5-[[2-(benzyloxycarbonylamino)acetyl]amino]-6-phenyl-hex-3-enoate CAS Name: (E)-5-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-6-phenyl-3-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-phenyl-5-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hex-3-enoate Traditional Name: (E)-5-[[2-(benzyloxycarbonylamino)acetyl]amino]-6-phenyl-hex-3-enoic acid methyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC=CC(CC1=CC=CC=C1)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C/C=C/C(CC1=CC=CC=C1)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H26N2O5/c1-29-22(27)14-8-13-20(15-18-9-4-2-5-10-18)25-21(26)16-24-23(28)30-17-19-11-6-3-7-12-19/h2-13,20H,14-17H2,1H3,(H,24,28)(H,25,26)/b13-8+