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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-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=CSC=C2)N3CCCC3C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCCC3C(=O)O)F

InChI

InChI=1S/C17H18FNO3S/c1-22-15-5-4-11(9-13(15)18)16(12-6-8-23-10-12)19-7-2-3-14(19)17(20)21/h4-6,8-10,14,16H,2-3,7H2,1H3,(H,20,21)