[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H23NO3/c1-13(25-20(24)18-4-2-14(12-22)3-5-18)19(23)21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,13,15-17H,6-11H2,1H3