ethyl 2,4-dimethyl-5-[2-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxy]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxy]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C

InChI

InChI=1S/C22H29NO6/c1-4-28-19(25)17-12(2)18(23-13(17)3)16(24)10-29-20(26)21-6-14-5-15(7-21)9-22(27,8-14)11-21/h14-15,23,27H,4-11H2,1-3H3/t14-,15+,21?,22?