2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(3-ethoxy-4-propargyloxy-phenyl)vinyl]cinchoninate Formula: C23H18NO4- MolecularWeight: 372.39332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)[O-])OCC#C

InChI

InChI=1S/C23H19NO4/c1-3-13-28-21-12-10-16(14-22(21)27-4-2)9-11-17-15-19(23(25)26)18-7-5-6-8-20(18)24-17/h1,5-12,14-15H,4,13H2,2H3,(H,25,26)/p-1/b11-9+