(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-phenylquinoline-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-phenylquinoline-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H17N3O3/c1-14(24)18(12-23)21(26)13-28-22(27)17-11-20(15-7-3-2-4-8-15)25-19-10-6-5-9-16(17)19/h2-11,18,24H,13H2,1H3