[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c22-11-14-2-1-3-18(7-14)20(25)26-12-19(24)23-13-21-8-15-4-16(9-21)6-17(5-15)10-21/h1-3,7,15-17H,4-6,8-10,12-13H2,(H,23,24)