[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylamino)-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O4/c1-11-18(13(3)25)12(2)23-19(11)21(27)28-14(4)20(26)24-22-8-15-5-16(9-22)7-17(6-15)10-22/h14-17,23H,5-10H2,1-4H3,(H,24,26)