(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(5S,7S)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(5S,7S)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CC12C[C@@H]3C[C@@H](C1)CC(C3)(C2)O

InChI

InChI=1S/C18H24N2O4/c1-11(20)14(8-19)15(21)9-24-16(22)7-17-3-12-2-13(4-17)6-18(23,5-12)10-17/h12-14,20,23H,2-7,9-10H2,1H3/t12-,13-,14?,17?,18?/m0/s1