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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-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=C(S2)Br)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(S2)Br)C3=CC4=CC=CC=C4N=C3

InChI

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