dimethyl 2-[2-(1-adamantylamino)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(1-adamantylamino)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(1-adamantylamino)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(1-adamantylamino)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(1-adamantylamino)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(1-adamantylamino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CNC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CNC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28N2O5/c1-28-20(26)16-3-4-17(21(27)29-2)18(8-16)24-19(25)12-23-22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,13-15,23H,5-7,9-12H2,1-2H3,(H,24,25)