[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H19N3O3/c1-4-15-11(2)18(13-7-5-6-8-16(13)22-15)19(24)25-10-17(23)14(9-20)12(3)21/h5-8,14,21H,4,10H2,1-3H3/t14-/m1/s1