1-[(5-bromanylthiophen-2-yl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-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=C(C=C2)F)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrFNO2S/c18-15-8-7-14(23-15)16(11-3-5-13(19)6-4-11)20-9-1-2-12(10-20)17(21)22/h3-8,12,16H,1-2,9-10H2,(H,21,22)