5-bromanyl-2-[[(2S)-2-phenylbutanoyl]amino]benzoate

Systemtic Name: 5-bromanyl-2-[[(2S)-2-phenylbutanoyl]amino]benzoate Openeye Name: 5-bromo-2-[[(2S)-2-phenylbutanoyl]amino]benzoate CAS Name: 5-bromo-2-[[(2S)-1-oxo-2-phenylbutyl]amino]benzoate IUPAC Name: 5-bromo-2-[[(2S)-2-phenylbutanoyl]amino]benzoate Traditional Name: 5-bromo-2-[[(2S)-2-phenylbutanoyl]amino]benzoate Formula: C17H15BrNO3- MolecularWeight: 361.2099

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C17H16BrNO3/c1-2-13(11-6-4-3-5-7-11)16(20)19-15-9-8-12(18)10-14(15)17(21)22/h3-10,13H,2H2,1H3,(H,19,20)(H,21,22)/p-1/t13-/m0/s1