[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C21H26N2O4/c1-3-4-5-6-16-7-9-17(10-8-16)19(24)11-12-21(26)27-14-20(25)18(13-22)15(2)23/h7-10,18,23H,3-6,11-12,14H2,1-2H3/t18-/m0/s1