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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-thiophen-2-ylmethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(2-thienyl)methyl]proline Formula: C17H18FNO3S MolecularWeight: 335.393123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CS2)N3CCCC3C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CS2)N3CCCC3C(=O)O)F

InChI

InChI=1S/C17H18FNO3S/c1-22-14-7-6-11(10-12(14)18)16(15-5-3-9-23-15)19-8-2-4-13(19)17(20)21/h3,5-7,9-10,13,16H,2,4,8H2,1H3,(H,20,21)