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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC=C(C=C1)C(=O)O)C(C2=CC(=CC=C2)Br)OCC3=CC=CS3

Isomeric SMILES

CCN(C1=NC=C(C=C1)C(=O)O)C(C2=CC(=CC=C2)Br)OCC3=CC=CS3

InChI

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