1-[(4-bromophenyl)-(5-chloranyl-2-ethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(5-chloranyl-2-ethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(5-chloro-2-ethoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(5-chloro-2-ethoxy-phenyl)methyl]isonipecotic 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=C(C=C2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=C(C=C2)Br)N3CCC(CC3)C(=O)O

InChI

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