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

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C26H33N3O4 MolecularWeight: 451.55792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C26H33N3O4/c1-17-6-18(2)8-22(7-17)29(5-3-4-27)23(30)16-33-24(31)15-28-25(32)26-12-19-9-20(13-26)11-21(10-19)14-26/h6-8,19-21H,3,5,9-16H2,1-2H3,(H,28,32)