[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)butanoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34N2O4/c1-17-5-2-3-6-21(17)15-27-22(28)16-31-23(29)7-4-8-26-24(30)25-12-18-9-19(13-25)11-20(10-18)14-25/h2-3,5-6,18-20H,4,7-16H2,1H3,(H,26,30)(H,27,28)