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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic 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)CCNC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

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

InChI

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