6-bromanyl-2-[(E)-3-ethylpent-1-enyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-3-ethylpent-1-enyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-3-ethylpent-1-enyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-3-ethylpent-1-enyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-3-ethylpent-1-enyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-3-ethylpent-1-enyl]cinchoninic acid Formula: C17H18BrNO2 MolecularWeight: 348.23432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C=CC1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)O

Isomeric SMILES

CCC(CC)/C=C/C1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)O

InChI

InChI=1S/C17H18BrNO2/c1-3-11(4-2)5-7-13-10-15(17(20)21)14-9-12(18)6-8-16(14)19-13/h5-11H,3-4H2,1-2H3,(H,20,21)/b7-5+