(2-cyanophenyl) 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (2-cyanophenyl) 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (2-cyanophenyl) 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (2-cyanophenyl) ester Formula: C20H16N2O2 MolecularWeight: 316.35324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC3=CC=CC=C3C#N

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC3=CC=CC=C3C#N

InChI

InChI=1S/C20H16N2O2/c1-3-16-13(2)19(15-9-5-6-10-17(15)22-16)20(23)24-18-11-7-4-8-14(18)12-21/h4-11H,3H2,1-2H3