1-cyanoethyl 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: 1-cyanoethyl 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: 1-cyanoethyl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid 1-cyanoethyl ester Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2/c1-4-8-15-13(5-2)17(18(21)22-12(3)11-19)14-9-6-7-10-16(14)20-15/h6-7,9-10,12H,4-5,8H2,1-3H3