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

Systemtic Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(4-tert-butylphenyl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(4-tert-butylphenyl)vinyl]cinchoninate Formula: C22H20NO2- MolecularWeight: 330.3997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO2/c1-22(2,3)16-11-8-15(9-12-16)10-13-17-14-19(21(24)25)18-6-4-5-7-20(18)23-17/h4-14H,1-3H3,(H,24,25)/p-1/b13-10+