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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]pipecolinic acid Formula: C22H25BrClNO4 MolecularWeight: 482.7952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrClNO4/c1-3-29-20-9-7-14(23)12-16(20)21(17-13-15(24)8-10-19(17)28-2)25-11-5-4-6-18(25)22(26)27/h7-10,12-13,18,21H,3-6,11H2,1-2H3,(H,26,27)