ethanoyl bromide; 2-(morpholin-4-ylcarbonylamino)-3-phenyl-propanoic acid

Systemtic Name: ethanoyl bromide; 2-(morpholin-4-ylcarbonylamino)-3-phenyl-propanoic acid Openeye Name: acetyl bromide; 2-(morpholine-4-carbonylamino)-3-phenyl-propanoic acid CAS Name: acetyl bromide; 2-[[4-morpholinyl(oxo)methyl]amino]-3-phenylpropanoic acid IUPAC Name: acetyl bromide; 2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid Traditional Name: acetyl bromide; 2-(morpholine-4-carbonylamino)-3-phenyl-propionic acid Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)Br.C1COCCN1C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)Br.C1COCCN1C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H18N2O4.C2H3BrO/c17-13(18)12(10-11-4-2-1-3-5-11)15-14(19)16-6-8-20-9-7-16;1-2(3)4/h1-5,12H,6-10H2,(H,15,19)(H,17,18);1H3