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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]proline Formula: C18H20FNO3S MolecularWeight: 349.419703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=C(C=C2)OC)F)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=C(C=C2)OC)F)N3CCCC3C(=O)O

InChI

InChI=1S/C18H20FNO3S/c1-11-8-16(24-10-11)17(20-7-3-4-14(20)18(21)22)12-5-6-15(23-2)13(19)9-12/h5-6,8-10,14,17H,3-4,7H2,1-2H3,(H,21,22)