[(2S)-1-oxidanylidene-1-phenyl-butan-2-yl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenyl-butan-2-yl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [(1S)-1-benzoylpropyl] 8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [(2S)-1-oxo-1-phenylbutan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-phenylbutan-2-yl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 8-methyl-2-(p-tolyl)cinchoninic acid [(1S)-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=CC=C3C)C4=CC=C(C=C4)C

Isomeric SMILES

CC[C@@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H25NO3/c1-4-25(27(30)21-10-6-5-7-11-21)32-28(31)23-17-24(20-15-13-18(2)14-16-20)29-26-19(3)9-8-12-22(23)26/h5-17,25H,4H2,1-3H3/t25-/m0/s1