[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H20N2O4/c1-11-4-5-12(2)14(8-11)16(21)6-7-18(23)24-10-17(22)15(9-19)13(3)20/h4-5,8,15,20H,6-7,10H2,1-3H3/t15-/m0/s1