cyanomethyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: cyanomethyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: cyanomethyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)cinchoninic acid cyanomethyl ester Formula: C20H16N2O2 MolecularWeight: 316.35324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC#N)C

InChI

InChI=1S/C20H16N2O2/c1-13-7-8-15(14(2)11-13)19-12-17(20(23)24-10-9-21)16-5-3-4-6-18(16)22-19/h3-8,11-12H,10H2,1-2H3