(1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-ethylphenyl)quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-ethylphenyl)quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 2-(4-ethylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-(4-ethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)cinchoninic acid 1-benzoylpropyl ester Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(CC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(CC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO3/c1-3-19-14-16-20(17-15-19)25-18-23(22-12-8-9-13-24(22)29-25)28(31)32-26(4-2)27(30)21-10-6-5-7-11-21/h5-18,26H,3-4H2,1-2H3