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1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
COC1=C(C=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O)OC
Isomeric SMILES
COC1=C(C=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O)OC
InChI
InChI=1S/C21H24BrNO4/c1-26-18-9-8-15(12-19(18)27-2)20(14-5-3-7-17(22)11-14)23-10-4-6-16(13-23)21(24)25/h3,5,7-9,11-12,16,20H,4,6,10,13H2,1-2H3,(H,24,25)
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