6-[[5-bromanyl-2-(thiophen-2-ylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[5-bromanyl-2-(thiophen-2-ylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(2-thienylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(2-thenyloxy)benzyl]-ethyl-amino]nicotinic acid Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CS2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CS2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19BrN2O3S/c1-2-23(19-8-5-14(11-22-19)20(24)25)12-15-10-16(21)6-7-18(15)26-13-17-4-3-9-27-17/h3-11H,2,12-13H2,1H3,(H,24,25)