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3-[(3-bromophenyl)methyl-[(4-fluorophenyl)methyl]amino]propanoic acid
3-[(3-bromophenyl)methyl-[(4-fluorophenyl)methyl]amino]propanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC(=CC(=C1)Br)CN(CCC(=O)O)CC2=CC=C(C=C2)F
Isomeric SMILES
C1=CC(=CC(=C1)Br)CN(CCC(=O)O)CC2=CC=C(C=C2)F
InChI
InChI=1S/C17H17BrFNO2/c18-15-3-1-2-14(10-15)12-20(9-8-17(21)22)11-13-4-6-16(19)7-5-13/h1-7,10H,8-9,11-12H2,(H,21,22)
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