[(E)-1-phenylpropylideneamino] (2S)-3-(4-acetyloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [(E)-1-phenylpropylideneamino] (2S)-3-(4-acetyloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [(E)-1-phenylpropylideneamino] (2S)-3-(4-acetoxyphenyl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-(4-acetyloxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [(E)-1-phenylpropylideneamino] ester IUPAC Name: [(E)-1-phenylpropylideneamino] (2S)-3-(4-acetyloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-(4-acetoxyphenyl)-2-(tert-butoxycarbonylamino)propionic acid [(E)-1-phenylpropylideneamino] ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOC(=O)C(CC1=CC=C(C=C1)OC(=O)C)NC(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC/C(=N\OC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)C)NC(=O)OC(C)(C)C)/C2=CC=CC=C2

InChI

InChI=1S/C25H30N2O6/c1-6-21(19-10-8-7-9-11-19)27-33-23(29)22(26-24(30)32-25(3,4)5)16-18-12-14-20(15-13-18)31-17(2)28/h7-15,22H,6,16H2,1-5H3,(H,26,30)/b27-21+/t22-/m0/s1