2-adamantyl 3-cyano-2-methylidene-pentanoate

Systemtic Name: 2-adamantyl 3-cyano-2-methylidene-pentanoate Openeye Name: 2-adamantyl 3-cyano-2-methylene-pentanoate CAS Name: 3-cyano-2-methylenepentanoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 3-cyano-2-methylidenepentanoate Traditional Name: 2-(1-cyanopropyl)acrylic acid 2-adamantyl ester Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO2/c1-3-13(9-18)10(2)17(19)20-16-14-5-11-4-12(7-14)8-15(16)6-11/h11-16H,2-8H2,1H3