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

Systemtic Name: 6-[[(3-bromophenyl)-(2-methylpropoxy)methyl]-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[(3-bromophenyl)-isobutoxy-methyl]-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[(3-bromophenyl)-(2-methylpropoxy)methyl]-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[(3-bromophenyl)-(2-methylpropoxy)methyl]-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[(3-bromophenyl)-isobutoxy-methyl]-ethyl-amino]nicotinic acid Formula: C19H23BrN2O3 MolecularWeight: 407.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC=C(C=C1)C(=O)O)C(C2=CC(=CC=C2)Br)OCC(C)C

Isomeric SMILES

CCN(C1=NC=C(C=C1)C(=O)O)C(C2=CC(=CC=C2)Br)OCC(C)C

InChI

InChI=1S/C19H23BrN2O3/c1-4-22(17-9-8-15(11-21-17)19(23)24)18(25-12-13(2)3)14-6-5-7-16(20)10-14/h5-11,13,18H,4,12H2,1-3H3,(H,23,24)