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3-[(3-bromophenyl)methyl-[(4-cyanophenyl)methyl]amino]propanoic acid
3-[(3-bromophenyl)methyl-[(4-cyanophenyl)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)C#N
Isomeric SMILES
C1=CC(=CC(=C1)Br)CN(CCC(=O)O)CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H17BrN2O2/c19-17-3-1-2-16(10-17)13-21(9-8-18(22)23)12-15-6-4-14(11-20)5-7-15/h1-7,10H,8-9,12-13H2,(H,22,23)
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