[(1R)-1-cyanoethyl] 6-methoxy-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 6-methoxy-2-phenyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 6-methoxy-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methoxy-2-phenyl-4-quinolinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate Traditional Name: 6-methoxy-2-phenyl-cinchoninic acid [(1R)-1-cyanoethyl] ester Formula: C20H16N2O3 MolecularWeight: 332.35264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=NC2=C1C=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=NC2=C1C=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H16N2O3/c1-13(12-21)25-20(23)17-11-19(14-6-4-3-5-7-14)22-18-9-8-15(24-2)10-16(17)18/h3-11,13H,1-2H3/t13-/m1/s1