2-adamantyl 3-cyano-2-methylidene-butanoate

Systemtic Name: 2-adamantyl 3-cyano-2-methylidene-butanoate Openeye Name: 2-adamantyl 3-cyano-2-methylene-butanoate CAS Name: 3-cyano-2-methylenebutanoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 3-cyano-2-methylidenebutanoate Traditional Name: 2-(1-cyanoethyl)acrylic acid 2-adamantyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-9(8-17)10(2)16(18)19-15-13-4-11-3-12(6-13)7-14(15)5-11/h9,11-15H,2-7H2,1H3