6-bromanyl-3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: 6-bromo-3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 6-bromo-3-ethyl-2-propyl-4-quinolinecarboxylate IUPAC Name: 6-bromo-3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 6-bromo-3-ethyl-2-propyl-cinchoninate Formula: C15H15BrNO2- MolecularWeight: 321.1891

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)[O-])CC

Isomeric SMILES

CCCC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)[O-])CC

InChI

InChI=1S/C15H16BrNO2/c1-3-5-12-10(4-2)14(15(18)19)11-8-9(16)6-7-13(11)17-12/h6-8H,3-5H2,1-2H3,(H,18,19)/p-1