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

Systemtic Name: 6-[(5-bromanyl-2-but-3-enoxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[(5-bromo-2-but-3-enoxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[(5-bromo-2-but-3-enoxyphenyl)methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-but-3-enoxyphenyl)methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[(5-bromo-2-but-3-enoxy-benzyl)-ethyl-amino]nicotinic acid Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3/c1-3-5-10-25-17-8-7-16(20)11-15(17)13-22(4-2)18-9-6-14(12-21-18)19(23)24/h3,6-9,11-12H,1,4-5,10,13H2,2H3,(H,23,24)