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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]proline Formula: C20H21BrClNO4 MolecularWeight: 454.74204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=C(C=CC(=C2)Br)OC)N3CCCC3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=C(C=CC(=C2)Br)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C20H21BrClNO4/c1-26-17-7-5-12(21)10-14(17)19(23-9-3-4-16(23)20(24)25)15-11-13(22)6-8-18(15)27-2/h5-8,10-11,16,19H,3-4,9H2,1-2H3,(H,24,25)