1-[(5-bromanyl-2-ethoxy-phenyl)-(3-chlorophenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3-chlorophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-chlorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-chlorophenyl)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)Br)C(C2=CC(=CC=C2)Cl)N3CCCCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClNO3/c1-2-27-19-10-9-15(22)13-17(19)20(14-6-5-7-16(23)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)