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

Systemtic Name: 1-[(2-bromophenyl)-(5-chloranyl-2-ethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(5-chloro-2-ethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(5-chloro-2-ethoxy-phenyl)methyl]proline Formula: C20H21BrClNO3 MolecularWeight: 438.74264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O

InChI

InChI=1S/C20H21BrClNO3/c1-2-26-18-10-9-13(22)12-15(18)19(14-6-3-4-7-16(14)21)23-11-5-8-17(23)20(24)25/h3-4,6-7,9-10,12,17,19H,2,5,8,11H2,1H3,(H,24,25)