1-[(5-bromanyl-2-ethoxy-phenyl)-(4-chlorophenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(4-chlorophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-chlorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-chlorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-chlorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-chlorophenyl)methyl]pipecolinic acid Formula: C21H23BrClNO3 MolecularWeight: 452.76922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClNO3/c1-2-27-19-11-8-15(22)13-17(19)20(14-6-9-16(23)10-7-14)24-12-4-3-5-18(24)21(25)26/h6-11,13,18,20H,2-5,12H2,1H3,(H,25,26)