1-[(3-bromophenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]proline Formula: C19H19BrFNO3 MolecularWeight: 408.261463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(C2=CC(=CC=C2)Br)N3CCCC3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(C2=CC(=CC=C2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C19H19BrFNO3/c1-25-17-8-7-14(21)11-15(17)18(12-4-2-5-13(20)10-12)22-9-3-6-16(22)19(23)24/h2,4-5,7-8,10-11,16,18H,3,6,9H2,1H3,(H,23,24)