3-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-3-(2,3-dihydrobenzofuran-5-yl)propanoic acid CAS Name: 3-(2,3-dihydrobenzofuran-5-yl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-3-coumaran-5-yl-propionic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC2=C(C=C1)OCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC2=C(C=C1)OCC2

InChI

InChI=1S/C16H21NO5/c1-16(2,3)22-15(20)17-12(9-14(18)19)10-4-5-13-11(8-10)6-7-21-13/h4-5,8,12H,6-7,9H2,1-3H3,(H,17,20)(H,18,19)