2-cyano-4-ethoxycarbonyl-5-oxidanylidene-5-phenyl-pentanoate; dicyclohexylazanium

Systemtic Name: 2-cyano-4-ethoxycarbonyl-5-oxidanylidene-5-phenyl-pentanoate; dicyclohexylazanium Openeye Name: 4-benzoyl-2-cyano-5-ethoxy-5-oxo-pentanoate; dicyclohexylammonium CAS Name: 4-benzoyl-2-cyano-5-ethoxy-5-oxopentanoate; dicyclohexylammonium IUPAC Name: 4-benzoyl-2-cyano-5-ethoxy-5-oxopentanoate; dicyclohexylazanium Traditional Name: 4-benzoyl-2-cyano-5-ethoxy-5-keto-valerate; dicyclohexylammonium Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C#N)C(=O)[O-])C(=O)C1=CC=CC=C1.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOC(=O)C(CC(C#N)C(=O)[O-])C(=O)C1=CC=CC=C1.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C15H15NO5.C12H23N/c1-2-21-15(20)12(8-11(9-16)14(18)19)13(17)10-6-4-3-5-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-7,11-12H,2,8H2,1H3,(H,18,19);11-13H,1-10H2