(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CNC(=O)CC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CNC(=O)CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H27N3O4/c1-12(22)16(9-21)17(24)11-27-19(26)10-23-18(25)8-20-5-13-2-14(6-20)4-15(3-13)7-20/h13-16,22H,2-8,10-11H2,1H3,(H,23,25)