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

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

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(S2)Br)C3=CC4=CC=CC=C4N=C3)C(=O)O

InChI

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