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

Systemtic Name: butyl 6-[(5-bromanyl-2-oxidanyl-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: butyl 6-[(5-bromo-2-hydroxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]-3-pyridinecarboxylic acid butyl ester IUPAC Name: butyl 6-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]pyridine-3-carboxylate Traditional Name: 6-[(5-bromo-2-hydroxy-benzyl)-ethyl-amino]nicotinic acid butyl ester Formula: C19H23BrN2O3 MolecularWeight: 407.30152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

CCCCOC(=O)C1=CN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C19H23BrN2O3/c1-3-5-10-25-19(24)14-6-9-18(21-12-14)22(4-2)13-15-11-16(20)7-8-17(15)23/h6-9,11-12,23H,3-5,10,13H2,1-2H3