[(2S)-1-oxidanylidene-1-phenyl-butan-2-yl] 6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenyl-butan-2-yl] 6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [(1S)-1-benzoylpropyl] 6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylic acid [(2S)-1-oxo-1-phenylbutan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-phenylbutan-2-yl] 6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-methyl-2-phenyl-cinchoninic acid [(1S)-1-benzoylpropyl] ester Formula: C27H23NO3 MolecularWeight: 409.47642

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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=CC=C4

Isomeric SMILES

CC[C@@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO3/c1-3-25(26(29)20-12-8-5-9-13-20)31-27(30)22-17-24(19-10-6-4-7-11-19)28-23-15-14-18(2)16-21(22)23/h4-17,25H,3H2,1-2H3/t25-/m0/s1