5-bromanylpyridine-3-carboxylic acid; 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine

Systemtic Name: 5-bromanylpyridine-3-carboxylic acid; 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine Openeye Name: 5-bromopyridine-3-carboxylic acid; 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine CAS Name: 5-bromo-3-pyridinecarboxylic acid; 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine IUPAC Name: 5-bromopyridine-3-carboxylic acid; 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine Traditional Name: 5-bromonicotinic acid; 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-ylamine Formula: C18H20BrN3O2 MolecularWeight: 390.2743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C3CCCC3=N2)N.C1=C(C=NC=C1Br)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C3CCCC3=N2)N.C1=C(C=NC=C1Br)C(=O)O

InChI

InChI=1S/C12H16N2.C6H4BrNO2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12;7-5-1-4(6(9)10)2-8-3-5/h1-7H2,(H2,13,14);1-3H,(H,9,10)