3-(2-tert-butyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(2-tert-butyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(2-tert-butyl-4-hydroxy-phenyl)propanoic acid CAS Name: 3-(2-tert-butyl-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(2-tert-butyl-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(2-tert-butyl-4-hydroxy-phenyl)propionic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)O)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)O)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5/c1-21(2,3)17-12-16(23)10-9-15(17)11-18(19(24)25)22-20(26)27-13-14-7-5-4-6-8-14/h4-10,12,18,23H,11,13H2,1-3H3,(H,22,26)(H,24,25)