3-(5-bromanyl-1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 3-(5-bromanyl-1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 3-(5-bromobenzofuran-2-yl)-4-(tert-butoxycarbonylamino)butanoic acid CAS Name: 3-(5-bromo-2-benzofuranyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-(5-bromo-1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 3-(5-bromobenzofuran-2-yl)-4-(tert-butoxycarbonylamino)butyric acid Formula: C17H20BrNO5 MolecularWeight: 398.2484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CC(=O)O)C1=CC2=C(O1)C=CC(=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CC(=O)O)C1=CC2=C(O1)C=CC(=C2)Br

InChI

InChI=1S/C17H20BrNO5/c1-17(2,3)24-16(22)19-9-11(8-15(20)21)14-7-10-6-12(18)4-5-13(10)23-14/h4-7,11H,8-9H2,1-3H3,(H,19,22)(H,20,21)