(3,3-dimethyl-2-oxidanylidene-butyl) 2-[3-(1-adamantylcarbonylamino)propanoylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[3-(1-adamantylcarbonylamino)propanoylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[3-(adamantane-1-carbonylamino)propanoylamino]benzoate CAS Name: 2-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[3-(adamantane-1-carbonylamino)propanoylamino]benzoate Traditional Name: 2-[3-(adamantane-1-carbonylamino)propanoylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O5/c1-26(2,3)22(30)16-34-24(32)20-6-4-5-7-21(20)29-23(31)8-9-28-25(33)27-13-17-10-18(14-27)12-19(11-17)15-27/h4-7,17-19H,8-16H2,1-3H3,(H,28,33)(H,29,31)