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1-[(3-bromophenyl)-(5-chloranyl-2-ethoxy-phenyl)methyl]piperidine-4-carboxylic acid
1-[(3-bromophenyl)-(5-chloranyl-2-ethoxy-phenyl)methyl]piperidine-4-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCOC1=C(C=C(C=C1)Cl)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O
Isomeric SMILES
CCOC1=C(C=C(C=C1)Cl)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O
InChI
InChI=1S/C21H23BrClNO3/c1-2-27-19-7-6-17(23)13-18(19)20(15-4-3-5-16(22)12-15)24-10-8-14(9-11-24)21(25)26/h3-7,12-14,20H,2,8-11H2,1H3,(H,25,26)
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