2-[(E)-2-(4-butoxyphenyl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]cinchoninate Formula: C22H20NO3- MolecularWeight: 346.3991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C22H21NO3/c1-2-3-14-26-18-12-9-16(10-13-18)8-11-17-15-20(22(24)25)19-6-4-5-7-21(19)23-17/h4-13,15H,2-3,14H2,1H3,(H,24,25)/p-1/b11-8+