[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34N2O4/c1-16(2)20-5-3-4-6-21(20)27-22(28)15-31-23(29)7-8-26-24(30)25-12-17-9-18(13-25)11-19(10-17)14-25/h3-6,16-19H,7-15H2,1-2H3,(H,26,30)(H,27,28)