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

Systemtic Name: (4-cyanophenyl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid (4-cyanobenzyl) ester Formula: C23H22N2O2 MolecularWeight: 358.43298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H22N2O2/c1-3-7-20-18(4-2)22(19-8-5-6-9-21(19)25-20)23(26)27-15-17-12-10-16(14-24)11-13-17/h5-6,8-13H,3-4,7,15H2,1-2H3