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

Systemtic Name: 6-[(5-bromanyl-2-prop-2-enoxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[(2-allyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[(5-bromo-2-prop-2-enoxyphenyl)methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-prop-2-enoxyphenyl)methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[(2-allyloxy-5-bromo-benzyl)-ethyl-amino]nicotinic acid Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O3/c1-3-9-24-16-7-6-15(19)10-14(16)12-21(4-2)17-8-5-13(11-20-17)18(22)23/h3,5-8,10-11H,1,4,9,12H2,2H3,(H,22,23)