(phenylmethyl) 3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) 3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoate CAS Name: 3-(4-hydroxy-2,6-dimethylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-hydroxy-2,6-dimethylphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-hydroxy-2,6-dimethyl-phenyl)propionic acid benzyl ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C)O

InChI

InChI=1S/C26H27NO5/c1-18-13-22(28)14-19(2)23(18)15-24(25(29)31-16-20-9-5-3-6-10-20)27-26(30)32-17-21-11-7-4-8-12-21/h3-14,24,28H,15-17H2,1-2H3,(H,27,30)