2-(5-bromanyl-1-benzofuran-2-yl)-2-(propan-2-ylamino)propanoic acid

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)-2-(propan-2-ylamino)propanoic acid Openeye Name: 2-(5-bromobenzofuran-2-yl)-2-(isopropylamino)propanoic acid CAS Name: 2-(5-bromo-2-benzofuranyl)-2-(propan-2-ylamino)propanoic acid IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)-2-(propan-2-ylamino)propanoic acid Traditional Name: 2-(5-bromobenzofuran-2-yl)-2-(isopropylamino)propionic acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(C)(C1=CC2=C(O1)C=CC(=C2)Br)C(=O)O

Isomeric SMILES

CC(C)NC(C)(C1=CC2=C(O1)C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C14H16BrNO3/c1-8(2)16-14(3,13(17)18)12-7-9-6-10(15)4-5-11(9)19-12/h4-8,16H,1-3H3,(H,17,18)