3-[4-(2-ethanoylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid; oxan-2-one

Systemtic Name: 3-[4-(2-ethanoylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid; oxan-2-one Openeye Name: 3-[4-(2-acetylphenoxy)phenyl]-2-(tert-butoxycarbonylamino)propanoic acid; tetrahydropyran-2-one CAS Name: 3-[4-(2-acetylphenoxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid; 2-oxanone IUPAC Name: 3-[4-(2-acetylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid; oxan-2-one Traditional Name: 3-[4-(2-acetylphenoxy)phenyl]-2-(tert-butoxycarbonylamino)propionic acid; tetrahydropyran-2-one Formula: C27H33NO8 MolecularWeight: 499.55282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)OC(C)(C)C.C1CCOC(=O)C1

Isomeric SMILES

CC(=O)C1=CC=CC=C1OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)OC(C)(C)C.C1CCOC(=O)C1

InChI

InChI=1S/C22H25NO6.C5H8O2/c1-14(24)17-7-5-6-8-19(17)28-16-11-9-15(10-12-16)13-18(20(25)26)23-21(27)29-22(2,3)4;6-5-3-1-2-4-7-5/h5-12,18H,13H2,1-4H3,(H,23,27)(H,25,26);1-4H2