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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

InChI

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