[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C25H35N3O7 MolecularWeight: 489.5613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H35N3O7/c1-32-19-9-18(10-20(33-2)23(19)34-3)27-21(29)14-35-22(30)4-5-26-24(31)28-25-11-15-6-16(12-25)8-17(7-15)13-25/h9-10,15-17H,4-8,11-14H2,1-3H3,(H,27,29)(H2,26,28,31)