2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 2-[5-(4-isopropylphenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 2-[5-(4-propan-2-ylphenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 2-(5-p-cumenyl-2-furyl)cinchoninate Formula: C23H18NO3- MolecularWeight: 356.39392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

InChI

InChI=1S/C23H19NO3/c1-14(2)15-7-9-16(10-8-15)21-11-12-22(27-21)20-13-18(23(25)26)17-5-3-4-6-19(17)24-20/h3-14H,1-2H3,(H,25,26)/p-1