ethyl 4-[2-(2-adamantylcarbonyloxy)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(2-adamantylcarbonyloxy)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(adamantane-2-carbonyloxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[2-adamantyl(oxo)methoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(adamantane-2-carbonyloxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(adamantane-2-carbonyloxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)C)C

InChI

InChI=1S/C22H29NO5/c1-4-27-21(25)19-12(3)23-11(2)18(19)17(24)10-28-22(26)20-15-6-13-5-14(8-15)9-16(20)7-13/h13-16,20,23H,4-10H2,1-3H3