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

Systemtic Name: 6-bromanyl-2-[(E)-3-phenylprop-1-enyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-3-phenylprop-1-enyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-3-phenylprop-1-enyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-3-phenylprop-1-enyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-3-phenylprop-1-enyl]cinchoninic acid Formula: C19H14BrNO2 MolecularWeight: 368.22396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C19H14BrNO2/c20-14-9-10-18-16(11-14)17(19(22)23)12-15(21-18)8-4-7-13-5-2-1-3-6-13/h1-6,8-12H,7H2,(H,22,23)/b8-4+