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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=CC=C(S4)Br

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=CC=C(S4)Br

InChI

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