1-cyanoethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 1-cyanoethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: 1-cyanoethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid 1-cyanoethyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5/c1-13(12-23)29-22(25)16-11-18(24-17-8-6-5-7-15(16)17)14-9-19(26-2)21(28-4)20(10-14)27-3/h5-11,13H,1-4H3