1-[(5-bromanylthiophen-2-yl)-(3-fluoranyl-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-fluoranyl-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-fluoro-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-fluoro-4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-fluoro-4-methoxy-phenyl)methyl]proline Formula: C17H17BrFNO3S MolecularWeight: 414.289183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O)F

InChI

InChI=1S/C17H17BrFNO3S/c1-23-13-5-4-10(9-11(13)19)16(14-6-7-15(18)24-14)20-8-2-3-12(20)17(21)22/h4-7,9,12,16H,2-3,8H2,1H3,(H,21,22)