dimethyl 5-[[(2R)-1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(2R)-1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(2R)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(2R)-1-(adamantane-1-carbonyl)prolyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H32N2O6 MolecularWeight: 468.54208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)[C@H]2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C26H32N2O6/c1-33-23(30)18-9-19(24(31)34-2)11-20(10-18)27-22(29)21-4-3-5-28(21)25(32)26-12-15-6-16(13-26)8-17(7-15)14-26/h9-11,15-17,21H,3-8,12-14H2,1-2H3,(H,27,29)/t15?,16?,17?,21-,26?/m1/s1