3-(2,6-dimethyl-4-phenylmethoxy-phenyl)-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(2,6-dimethyl-4-phenylmethoxy-phenyl)-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(4-benzyloxy-2,6-dimethyl-phenyl)-2-methyl-propanoic acid CAS Name: 3-(2,6-dimethyl-4-phenylmethoxyphenyl)-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(2,6-dimethyl-4-phenylmethoxyphenyl)-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(4-benzoxy-2,6-dimethyl-phenyl)-2-(benzyloxycarbonylamino)-2-methyl-propionic acid Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO5/c1-19-14-23(32-17-21-10-6-4-7-11-21)15-20(2)24(19)16-27(3,25(29)30)28-26(31)33-18-22-12-8-5-9-13-22/h4-15H,16-18H2,1-3H3,(H,28,31)(H,29,30)