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

Systemtic Name: methyl 5-[(2S)-2-(1-adamantylcarbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO5/c1-11-17(20(25)27-4)12(2)23-18(11)19(24)13(3)28-21(26)22-8-14-5-15(9-22)7-16(6-14)10-22/h13-16,23H,5-10H2,1-4H3/t13-,14?,15?,16?,22?/m0/s1