[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenyl-propan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-phenyl-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [(2R)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-phenylpropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [(1R)-2-keto-1-methyl-2-phenyl-ethyl] ester Formula: C27H23NO5 MolecularWeight: 441.47522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H23NO5/c1-17(26(29)18-9-5-4-6-10-18)33-27(30)21-16-23(28-22-12-8-7-11-20(21)22)19-13-14-24(31-2)25(15-19)32-3/h4-17H,1-3H3/t17-/m1/s1