1-[(5-bromanylthiophen-2-yl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(2-fluorophenyl)methyl]nipecotic acid Formula: C17H17BrFNO2S MolecularWeight: 398.289783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2F)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2F)C3=CC=C(S3)Br)C(=O)O

InChI

InChI=1S/C17H17BrFNO2S/c18-15-8-7-14(23-15)16(12-5-1-2-6-13(12)19)20-9-3-4-11(10-20)17(21)22/h1-2,5-8,11,16H,3-4,9-10H2,(H,21,22)