1-[(2-bromophenyl)-(5-chloranyl-2-ethoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(5-chloranyl-2-ethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(5-chloro-2-ethoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(5-chloro-2-ethoxy-phenyl)methyl]nipecotic acid Formula: C21H23BrClNO3 MolecularWeight: 452.76922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H23BrClNO3/c1-2-27-19-10-9-15(23)12-17(19)20(16-7-3-4-8-18(16)22)24-11-5-6-14(13-24)21(25)26/h3-4,7-10,12,14,20H,2,5-6,11,13H2,1H3,(H,25,26)