1-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(4-fluorobenzothiophene-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-fluorobenzothiophene-2-carbonyl)nipecotic acid Formula: C15H14FNO3S MolecularWeight: 307.339963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=CC=C3S2)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(C=CC=C3S2)F)C(=O)O

InChI

InChI=1S/C15H14FNO3S/c16-11-4-1-5-12-10(11)7-13(21-12)14(18)17-6-2-3-9(8-17)15(19)20/h1,4-5,7,9H,2-3,6,8H2,(H,19,20)