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

Systemtic Name: [(2S)-1-oxidanylidene-1-phenyl-butan-2-yl] 2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [(1S)-1-benzoylpropyl] 2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-8-methyl-4-quinolinecarboxylic acid [(2S)-1-oxo-1-phenylbutan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-phenylbutan-2-yl] 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)-8-methyl-cinchoninic acid [(1S)-1-benzoylpropyl] ester Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O[C@@H](CC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H27NO3/c1-4-20-14-16-21(17-15-20)25-18-24(23-13-9-10-19(3)27(23)30-25)29(32)33-26(5-2)28(31)22-11-7-6-8-12-22/h6-18,26H,4-5H2,1-3H3/t26-/m0/s1