[(1S,3S,5R,7R)-2-(cyanomethyl)-4-oxidanylidene-2-adamantyl] 2-methylprop-2-enoate

Systemtic Name: [(1S,3S,5R,7R)-2-(cyanomethyl)-4-oxidanylidene-2-adamantyl] 2-methylprop-2-enoate Openeye Name: [(1S,3S,5R,7R)-2-(cyanomethyl)-4-oxo-2-adamantyl] 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [(1S,3S,5R,7R)-2-(cyanomethyl)-4-oxo-2-adamantyl] ester IUPAC Name: [(1S,3S,5R,7R)-2-(cyanomethyl)-4-oxo-2-adamantyl] 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [(1S,3S,5R,7R)-2-(cyanomethyl)-4-keto-2-adamantyl] ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OC1(C2CC3CC(C2)C(=O)C1C3)CC#N

Isomeric SMILES

CC(=C)C(=O)OC1([C@H]2C[C@@H]3C[C@H](C2)C(=O)[C@H]1C3)CC#N

InChI

InChI=1S/C16H19NO3/c1-9(2)15(19)20-16(3-4-17)12-6-10-5-11(8-12)14(18)13(16)7-10/h10-13H,1,3,5-8H2,2H3/t10-,11+,12-,13+,16?/m0/s1