[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H34N2O6 MolecularWeight: 458.54726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC)OC

InChI

InChI=1S/C25H34N2O6/c1-14(2)23(29)26-19-9-21(32-4)20(31-3)8-18(19)24(30)33-13-22(28)27-25-10-15-5-16(11-25)7-17(6-15)12-25/h8-9,14-17H,5-7,10-13H2,1-4H3,(H,26,29)(H,27,28)