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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-thienyl)methyl]isonipecotic acid Formula: C18H20FNO3S MolecularWeight: 349.419703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C18H20FNO3S/c1-23-16-3-2-13(10-15(16)19)17(14-6-9-24-11-14)20-7-4-12(5-8-20)18(21)22/h2-3,6,9-12,17H,4-5,7-8H2,1H3,(H,21,22)