4-acetamido-2-cyano-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-pentanoate; dicyclohexylazanium

Systemtic Name: 4-acetamido-2-cyano-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-pentanoate; dicyclohexylazanium Openeye Name: 4-acetamido-2-cyano-5-ethoxy-4-ethoxycarbonyl-5-oxo-pentanoate; dicyclohexylammonium CAS Name: 4-acetamido-2-cyano-5-ethoxy-4-ethoxycarbonyl-5-oxopentanoate; dicyclohexylammonium IUPAC Name: 4-acetamido-2-cyano-5-ethoxy-4-ethoxycarbonyl-5-oxopentanoate; dicyclohexylazanium Traditional Name: 4-acetamido-4-carbethoxy-2-cyano-5-ethoxy-5-keto-valerate; dicyclohexylammonium Formula: C25H41N3O7 MolecularWeight: 495.60894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O7.C12H23N/c1-4-21-11(19)13(15-8(3)16,12(20)22-5-2)6-9(7-14)10(17)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h9H,4-6H2,1-3H3,(H,15,16)(H,17,18);11-13H,1-10H2