[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H17N3O3/c1-10-13-6-4-5-7-15(13)21-12(3)17(10)18(23)24-9-16(22)14(8-19)11(2)20/h4-7,14,20H,9H2,1-3H3/t14-/m0/s1