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

Systemtic Name: ethyl 5-[2-[(3-chloranyl-1-adamantyl)carbonyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(3-chloroadamantane-1-carbonyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(3-chloro-1-adamantyl)-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-chloroadamantane-1-carbonyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(3-chloroadamantane-1-carbonyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28ClNO5 MolecularWeight: 421.91442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C

InChI

InChI=1S/C22H28ClNO5/c1-4-28-19(26)17-12(2)18(24-13(17)3)16(25)10-29-20(27)21-6-14-5-15(7-21)9-22(23,8-14)11-21/h14-15,24H,4-11H2,1-3H3