2-[(E)-2-(1-ethanoylindol-3-yl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(1-ethanoylindol-3-yl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(1-acetylindol-3-yl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(1-acetyl-3-indolyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(1-acetylindol-3-yl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(1-acetylindol-3-yl)vinyl]cinchoninic acid Formula: C22H16N2O3 MolecularWeight: 356.37404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C22H16N2O3/c1-14(25)24-13-15(17-6-3-5-9-21(17)24)10-11-16-12-19(22(26)27)18-7-2-4-8-20(18)23-16/h2-13H,1H3,(H,26,27)/b11-10+