methyl (2S)-3-[4-(4-ethanoylphenoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[4-(4-ethanoylphenoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-3-[4-(4-acetylphenoxy)phenyl]-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-[4-(4-acetylphenoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-(4-acetylphenoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-[4-(4-acetylphenoxy)phenyl]-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C26H25NO6 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C[C@@H](C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25NO6/c1-18(28)21-10-14-23(15-11-21)33-22-12-8-19(9-13-22)16-24(25(29)31-2)27-26(30)32-17-20-6-4-3-5-7-20/h3-15,24H,16-17H2,1-2H3,(H,27,30)/t24-/m0/s1