(1-oxidanylidene-1-phenyl-butan-2-yl) 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 6-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(p-tolyl)cinchoninic acid 1-benzoylpropyl ester Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)C

InChI

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