[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethylfuran-3-carboxylate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C)C

InChI

InChI=1S/C23H30N2O4/c1-14-15(2)29-16(3)21(14)22(27)28-13-20(26)25(6-4-5-24)23-10-17-7-18(11-23)9-19(8-17)12-23/h17-19H,4,6-13H2,1-3H3