[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H35N3O4/c1-3-17-4-6-21(7-5-17)27-23(30)16(2)32-22(29)8-9-26-24(31)28-25-13-18-10-19(14-25)12-20(11-18)15-25/h4-7,16,18-20H,3,8-15H2,1-2H3,(H,27,30)(H2,26,28,31)