2-[(E)-2-(5-bromanyl-2-propoxy-phenyl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(5-bromanyl-2-propoxy-phenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(5-bromo-2-propoxy-phenyl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(5-bromo-2-propoxy-phenyl)vinyl]cinchoninate Formula: C21H17BrNO3- MolecularWeight: 411.26858

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C21H18BrNO3/c1-2-11-26-20-10-8-15(22)12-14(20)7-9-16-13-18(21(24)25)17-5-3-4-6-19(17)23-16/h3-10,12-13H,2,11H2,1H3,(H,24,25)/p-1/b9-7+