[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C25H34N2O6 MolecularWeight: 458.54726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C25H34N2O6/c1-31-20-4-3-16(10-21(20)32-2)5-6-26-22(28)15-33-23(29)14-27-24(30)25-11-17-7-18(12-25)9-19(8-17)13-25/h3-4,10,17-19H,5-9,11-15H2,1-2H3,(H,26,28)(H,27,30)