[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C25H35N3O6 MolecularWeight: 473.5619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O6/c1-32-20-4-3-16(10-21(20)33-2)14-27-22(29)15-34-23(30)5-6-26-24(31)28-25-11-17-7-18(12-25)9-19(8-17)13-25/h3-4,10,17-19H,5-9,11-15H2,1-2H3,(H,27,29)(H2,26,28,31)