[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3/c21-11-13-1-3-17(4-2-13)19(23)24-12-18(22)20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,14-16H,5-10,12H2