1,3-bis(bromanyl)propan-2-one; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 1,3-bis(bromanyl)propan-2-one; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-phenyl-propanoic acid; 1,3-dibromopropan-2-one CAS Name: 1,3-dibromo-2-propanone; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 1,3-dibromopropan-2-one; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid; 1,3-dibromoacetone Formula: C20H21Br2NO5 MolecularWeight: 515.19244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2.C(C(=O)CBr)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2.C(C(=O)CBr)Br

InChI

InChI=1S/C17H17NO4.C3H4Br2O/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14;4-1-3(6)2-5/h1-10,15H,11-12H2,(H,18,21)(H,19,20);1-2H2