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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-quinolin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-quinolyl)methyl]nipecotic acid Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=NC3=CC=CC=C23)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=NC3=CC=CC=C23)C4=CC=C(S4)Br)C(=O)O

InChI

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