6-bromanyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-(4-ethoxyphenyl)vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-p-phenetylvinyl]cinchoninate Formula: C20H15BrNO3- MolecularWeight: 397.242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C20H16BrNO3/c1-2-25-16-8-4-13(5-9-16)3-7-15-12-18(20(23)24)17-11-14(21)6-10-19(17)22-15/h3-12H,2H2,1H3,(H,23,24)/p-1/b7-3+