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

Systemtic Name: 6-bromanyl-2-[(E)-2-(4-tert-butylphenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-(4-tert-butylphenyl)vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-(4-tert-butylphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-(4-tert-butylphenyl)vinyl]cinchoninate Formula: C22H19BrNO2- MolecularWeight: 409.29576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO2/c1-22(2,3)15-7-4-14(5-8-15)6-10-17-13-19(21(25)26)18-12-16(23)9-11-20(18)24-17/h4-13H,1-3H3,(H,25,26)/p-1/b10-6+