(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CNC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CNC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C19H25N3O4/c1-11(21)15(8-20)16(23)10-26-17(24)9-22-18(25)19-5-12-2-13(6-19)4-14(3-12)7-19/h12-15,21H,2-7,9-10H2,1H3,(H,22,25)