dimethyl 5-[2-(1-adamantylamino)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1-adamantylamino)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-adamantylamino)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(1-adamantylamino)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-adamantylamino)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1-adamantylamino)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-28-20(26)16-6-17(21(27)29-2)8-18(7-16)24-19(25)12-23-22-9-13-3-14(10-22)5-15(4-13)11-22/h6-8,13-15,23H,3-5,9-12H2,1-2H3,(H,24,25)