2-adamantyl 4-cyano-2-methyl-butanoate

Systemtic Name: 2-adamantyl 4-cyano-2-methyl-butanoate Openeye Name: 2-adamantyl 4-cyano-2-methyl-butanoate CAS Name: 4-cyano-2-methylbutanoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 4-cyano-2-methylbutanoate Traditional Name: 4-cyano-2-methyl-butyric acid 2-adamantyl ester Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)C(=O)OC1C2CC3CC(C2)CC1C3

Isomeric SMILES

CC(CCC#N)C(=O)OC1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C16H23NO2/c1-10(3-2-4-17)16(18)19-15-13-6-11-5-12(8-13)9-14(15)7-11/h10-15H,2-3,5-9H2,1H3