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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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