(2-cyanophenyl) 2-ethyl-3,7,8-trimethyl-quinoline-4-carboxylate

Systemtic Name: (2-cyanophenyl) 2-ethyl-3,7,8-trimethyl-quinoline-4-carboxylate Openeye Name: (2-cyanophenyl) 2-ethyl-3,7,8-trimethyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3,7,8-trimethyl-4-quinolinecarboxylic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 2-ethyl-3,7,8-trimethylquinoline-4-carboxylate Traditional Name: 2-ethyl-3,7,8-trimethyl-cinchoninic acid (2-cyanophenyl) ester Formula: C22H20N2O2 MolecularWeight: 344.4064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=CC(=C(C2=N1)C)C)C(=O)OC3=CC=CC=C3C#N)C

Isomeric SMILES

CCC1=C(C(=C2C=CC(=C(C2=N1)C)C)C(=O)OC3=CC=CC=C3C#N)C

InChI

InChI=1S/C22H20N2O2/c1-5-18-15(4)20(17-11-10-13(2)14(3)21(17)24-18)22(25)26-19-9-7-6-8-16(19)12-23/h6-11H,5H2,1-4H3