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

Systemtic Name: 1-cyanoethyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: 1-cyanoethyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid 1-cyanoethyl ester Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2/c1-4-13-11(3)15(16(19)20-10(2)9-17)12-7-5-6-8-14(12)18-13/h5-8,10H,4H2,1-3H3