methyl 6-[(5-bromanyl-2-oxidanyl-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate

Systemtic Name: methyl 6-[(5-bromanyl-2-oxidanyl-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: methyl 6-[(5-bromo-2-hydroxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]pyridine-3-carboxylate Traditional Name: 6-[(5-bromo-2-hydroxy-benzyl)-ethyl-amino]nicotinic acid methyl ester Formula: C16H17BrN2O3 MolecularWeight: 365.22178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O3/c1-3-19(10-12-8-13(17)5-6-14(12)20)15-7-4-11(9-18-15)16(21)22-2/h4-9,20H,3,10H2,1-2H3