methyl 5-bromanyl-2-(3-phenylpropanoylamino)benzoate

Systemtic Name: methyl 5-bromanyl-2-(3-phenylpropanoylamino)benzoate Openeye Name: methyl 5-bromo-2-(3-phenylpropanoylamino)benzoate CAS Name: 5-bromo-2-[(1-oxo-3-phenylpropyl)amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-(3-phenylpropanoylamino)benzoate Traditional Name: 5-bromo-2-(hydrocinnamoylamino)benzoic acid methyl ester Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C17H16BrNO3/c1-22-17(21)14-11-13(18)8-9-15(14)19-16(20)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,19,20)