[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C25H34N2O4/c1-3-20-6-4-5-16(2)23(20)27-21(28)15-31-22(29)7-8-26-24(30)25-12-17-9-18(13-25)11-19(10-17)14-25/h4-6,17-19H,3,7-15H2,1-2H3,(H,26,30)(H,27,28)