[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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