[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)ethanoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)ethanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(furan-2-carbonylamino)acetate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate Traditional Name: 2-(2-furoylamino)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC(=O)CNC(=O)C4=CC=CO4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC(=O)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C22H27N3O5/c23-4-2-5-25(22-10-15-7-16(11-22)9-17(8-15)12-22)19(26)14-30-20(27)13-24-21(28)18-3-1-6-29-18/h1,3,6,15-17H,2,5,7-14H2,(H,24,28)