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

Systemtic Name: (4-cyanophenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (4-cyanobenzyl) ester Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N2O2/c1-3-18-14(2)20(17-6-4-5-7-19(17)23-18)21(24)25-13-16-10-8-15(12-22)9-11-16/h4-11H,3,13H2,1-2H3