methyl (2S)-2-(phenylmethoxycarbonylamino)-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoate

Systemtic Name: methyl (2S)-2-(phenylmethoxycarbonylamino)-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[4-[(E)-cinnamyl]oxyphenyl]propanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(phenylmethoxycarbonylamino)-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-[(E)-cinnamyl]oxyphenyl]propionic acid methyl ester Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC=CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OC/C=C/C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27NO5/c1-31-26(29)25(28-27(30)33-20-23-11-6-3-7-12-23)19-22-14-16-24(17-15-22)32-18-8-13-21-9-4-2-5-10-21/h2-17,25H,18-20H2,1H3,(H,28,30)/b13-8+/t25-/m0/s1