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1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O
Isomeric SMILES
COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O
InChI
InChI=1S/C21H24BrNO4/c1-26-18-11-6-9-16(20(18)27-2)19(14-7-5-8-15(22)13-14)23-12-4-3-10-17(23)21(24)25/h5-9,11,13,17,19H,3-4,10,12H2,1-2H3,(H,24,25)
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