1-[(3-bromophenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3-fluoro-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(3-fluoro-4-methoxy-phenyl)methyl]proline Formula: C19H19BrFNO3 MolecularWeight: 408.261463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrFNO3/c1-25-17-8-7-13(11-15(17)21)18(12-4-2-5-14(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)