hexyl 4-[[2,3-bis(bromanyl)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: hexyl 4-[[2,3-bis(bromanyl)-3-phenyl-propanoyl]amino]benzoate Openeye Name: hexyl 4-[(2,3-dibromo-3-phenyl-propanoyl)amino]benzoate CAS Name: 4-[(2,3-dibromo-1-oxo-3-phenylpropyl)amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[(2,3-dibromo-3-phenylpropanoyl)amino]benzoate Traditional Name: 4-[(2,3-dibromo-3-phenyl-propanoyl)amino]benzoic acid hexyl ester Formula: C22H25Br2NO3 MolecularWeight: 511.2468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C2=CC=CC=C2)Br)Br

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C2=CC=CC=C2)Br)Br

InChI

InChI=1S/C22H25Br2NO3/c1-2-3-4-8-15-28-22(27)17-11-13-18(14-12-17)25-21(26)20(24)19(23)16-9-6-5-7-10-16/h5-7,9-14,19-20H,2-4,8,15H2,1H3,(H,25,26)