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

Systemtic Name: 1-[(3-bromophenyl)-(5-chloranyl-2-ethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(5-chloro-2-ethoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(5-chloro-2-ethoxy-phenyl)methyl]pipecolinic 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=C2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClNO3/c1-2-27-19-10-9-16(23)13-17(19)20(14-6-5-7-15(22)12-14)24-11-4-3-8-18(24)21(25)26/h5-7,9-10,12-13,18,20H,2-4,8,11H2,1H3,(H,25,26)