[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C25H26N2O4/c26-14-17-3-1-4-21(10-17)24(29)31-16-23(28)27(15-22-5-2-6-30-22)25-11-18-7-19(12-25)9-20(8-18)13-25/h1-6,10,18-20H,7-9,11-13,15-16H2