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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-quinolin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-quinolyl)methyl]isonipecotic acid Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CC=C(S4)Br

InChI

InChI=1S/C20H19BrN2O2S/c21-18-6-5-17(26-18)19(23-11-8-13(9-12-23)20(24)25)15-7-10-22-16-4-2-1-3-14(15)16/h1-7,10,13,19H,8-9,11-12H2,(H,24,25)