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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=C(C=CC(=C2)Cl)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H25BrClNO4/c1-3-29-20-6-4-15(23)12-17(20)21(18-13-16(24)5-7-19(18)28-2)25-10-8-14(9-11-25)22(26)27/h4-7,12-14,21H,3,8-11H2,1-2H3,(H,26,27)