[(2S)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [(1S)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(1S)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-11-18(13(3)24)12(2)23-19(11)21(26)27-14(4)20(25)22-8-15-5-16(9-22)7-17(6-15)10-22/h14-17,23H,5-10H2,1-4H3/t14-,15?,16?,17?,22?/m0/s1