[(1R)-1-cyanoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [(1R)-1-cyanoethyl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H18N2O4/c1-13(12-22)27-21(24)16-11-18(23-17-7-5-4-6-15(16)17)14-8-9-19(25-2)20(10-14)26-3/h4-11,13H,1-3H3/t13-/m1/s1