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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c22-11-13-2-1-3-17(7-13)19(26)28-12-18(25)23-20(27)24-21-8-14-4-15(9-21)6-16(5-14)10-21/h1-3,7,14-16H,4-6,8-10,12H2,(H2,23,24,25,27)