[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C23H19N3O3/c1-14-21(23(28)29-13-20(27)18(12-24)15(2)25)17-10-6-7-11-19(17)26-22(14)16-8-4-3-5-9-16/h3-11,18,25H,13H2,1-2H3/t18-/m0/s1