(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4/c1-14(25)19(12-24)22(27)13-30-23(28)18-11-21(15-7-9-16(29-2)10-8-15)26-20-6-4-3-5-17(18)20/h3-11,19,25H,13H2,1-2H3