[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O)C

InChI

InChI=1S/C25H32N2O4/c1-17-6-18(2)8-21(7-17)27(5-3-4-26)22(28)15-31-23(29)14-24-10-19-9-20(11-24)13-25(30,12-19)16-24/h6-8,19-20,30H,3,5,9-16H2,1-2H3