[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C24H33N3O6 MolecularWeight: 459.53532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33N3O6/c1-31-18-3-4-20(32-2)19(10-18)26-21(28)14-33-22(29)5-6-25-23(30)27-24-11-15-7-16(12-24)9-17(8-15)13-24/h3-4,10,15-17H,5-9,11-14H2,1-2H3,(H,26,28)(H2,25,27,30)