6-[[5-bromanyl-2-(4-methylpent-3-enoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[5-bromanyl-2-(4-methylpent-3-enoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(4-methylpent-3-enoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(4-methylpent-3-enoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(4-methylpent-3-enoxy)phenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(4-methylpent-3-enoxy)benzyl]-ethyl-amino]nicotinic acid Formula: C21H25BrN2O3 MolecularWeight: 433.3388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCCC=C(C)C)C2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCCC=C(C)C)C2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H25BrN2O3/c1-4-24(20-10-7-16(13-23-20)21(25)26)14-17-12-18(22)8-9-19(17)27-11-5-6-15(2)3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,25,26)