dimethyl 5-[[2-(1-adamantyl)pyridin-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-(1-adamantyl)pyridin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-adamantyl)pyridine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(1-adamantyl)-4-pyridinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-adamantyl)pyridine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1-adamantyl)isonicotinoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C26H28N2O5/c1-32-24(30)19-8-20(25(31)33-2)10-21(9-19)28-23(29)18-3-4-27-22(11-18)26-12-15-5-16(13-26)7-17(6-15)14-26/h3-4,8-11,15-17H,5-7,12-14H2,1-2H3,(H,28,29)