butyl 1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]-6-(ethylamino)-2H-pyridine-5-carboxylate

Systemtic Name: butyl 1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]-6-(ethylamino)-2H-pyridine-5-carboxylate Openeye Name: butyl 1-[(5-bromo-2-hydroxy-phenyl)methyl]-6-(ethylamino)-2H-pyridine-5-carboxylate CAS Name: 1-[(5-bromo-2-hydroxyphenyl)methyl]-6-(ethylamino)-2H-pyridine-5-carboxylic acid butyl ester IUPAC Name: butyl 1-[(5-bromo-2-hydroxyphenyl)methyl]-6-(ethylamino)-2H-pyridine-5-carboxylate Traditional Name: 1-(5-bromo-2-hydroxy-benzyl)-6-(ethylamino)-2H-pyridine-5-carboxylic acid butyl ester Formula: C19H25BrN2O3 MolecularWeight: 409.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O3/c1-3-5-11-25-19(24)16-7-6-10-22(18(16)21-4-2)13-14-12-15(20)8-9-17(14)23/h6-9,12,21,23H,3-5,10-11,13H2,1-2H3