1-[[2,4-bis(fluoranyl)phenyl]-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(3-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(3-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(3-methyl-2-thienyl)methyl]isonipecotic acid Formula: C18H19F2NO2S MolecularWeight: 351.410766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=C(C=C(C=C2)F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=C(C=C(C=C2)F)F)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H19F2NO2S/c1-11-6-9-24-17(11)16(14-3-2-13(19)10-15(14)20)21-7-4-12(5-8-21)18(22)23/h2-3,6,9-10,12,16H,4-5,7-8H2,1H3,(H,22,23)