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

Systemtic Name: ethyl 5-[(2S)-2-(1-adamantylcarbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(adamantane-1-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[1-adamantyl(oxo)methoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(adamantane-1-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(adamantane-1-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H31NO5/c1-5-28-21(26)18-12(2)19(24-13(18)3)20(25)14(4)29-22(27)23-9-15-6-16(10-23)8-17(7-15)11-23/h14-17,24H,5-11H2,1-4H3/t14-,15?,16?,17?,23?/m0/s1