[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(cyanomethyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(cyanomethyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(cyanomethyl)benzoate CAS Name: 2-(cyanomethyl)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(cyanomethyl)benzoate Traditional Name: 2-(cyanomethyl)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=CC=C4CC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=CC=C4CC#N

InChI

InChI=1S/C21H23NO3/c22-6-5-17-3-1-2-4-18(17)20(24)25-13-19(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16H,5,7-13H2