5-bromanylpyridine-3-carboxylic acid; 2-ethyl-3-methyl-quinolin-4-amine

Systemtic Name: 5-bromanylpyridine-3-carboxylic acid; 2-ethyl-3-methyl-quinolin-4-amine Openeye Name: 5-bromopyridine-3-carboxylic acid; 2-ethyl-3-methyl-quinolin-4-amine CAS Name: 5-bromo-3-pyridinecarboxylic acid; 2-ethyl-3-methyl-4-quinolinamine IUPAC Name: 5-bromopyridine-3-carboxylic acid; 2-ethyl-3-methylquinolin-4-amine Traditional Name: 5-bromonicotinic acid; (2-ethyl-3-methyl-4-quinolyl)amine Formula: C18H18BrN3O2 MolecularWeight: 388.25842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)N.C1=C(C=NC=C1Br)C(=O)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)N.C1=C(C=NC=C1Br)C(=O)O

InChI

InChI=1S/C12H14N2.C6H4BrNO2/c1-3-10-8(2)12(13)9-6-4-5-7-11(9)14-10;7-5-1-4(6(9)10)2-8-3-5/h4-7H,3H2,1-2H3,(H2,13,14);1-3H,(H,9,10)