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1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
COC1=C(C=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O)OC
Isomeric SMILES
COC1=C(C=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O)OC
InChI
InChI=1S/C21H24BrNO4/c1-26-18-7-6-16(13-19(18)27-2)20(15-4-3-5-17(22)12-15)23-10-8-14(9-11-23)21(24)25/h3-7,12-14,20H,8-11H2,1-2H3,(H,24,25)
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