2-bromanylethanal; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 2-bromanylethanal; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-phenyl-propanoic acid; 2-bromoacetaldehyde CAS Name: 2-bromoacetaldehyde; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-bromoacetaldehyde; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid; 2-bromoacetaldehyde Formula: C19H20BrNO5 MolecularWeight: 422.2698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4.C2H3BrO/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14;3-1-2-4/h1-10,15H,11-12H2,(H,18,21)(H,19,20);2H,1H2