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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]proline Formula: C21H23BrClNO4 MolecularWeight: 468.76862

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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)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C21H23BrClNO4/c1-3-28-19-8-6-13(22)11-15(19)20(24-10-4-5-17(24)21(25)26)16-12-14(23)7-9-18(16)27-2/h6-9,11-12,17,20H,3-5,10H2,1-2H3,(H,25,26)