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1-[(3-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
1-[(3-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O
Isomeric SMILES
COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O
InChI
InChI=1S/C22H26BrNO5/c1-27-18-12-15(13-19(28-2)21(18)29-3)20(14-7-6-8-16(23)11-14)24-10-5-4-9-17(24)22(25)26/h6-8,11-13,17,20H,4-5,9-10H2,1-3H3,(H,25,26)
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