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1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid
1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCOC1=CC=CC(=C1)C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O
Isomeric SMILES
CCOC1=CC=CC(=C1)C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O
InChI
InChI=1S/C21H24BrNO3/c1-2-26-19-10-4-7-16(13-19)20(15-6-3-9-18(22)12-15)23-11-5-8-17(14-23)21(24)25/h3-4,6-7,9-10,12-13,17,20H,2,5,8,11,14H2,1H3,(H,24,25)
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