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

Systemtic Name: methyl 5-[(2S)-2-(2-adamantylcarbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(adamantane-2-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[2-adamantyl(oxo)methoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(adamantane-2-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(adamantane-2-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C22H29NO5/c1-10-17(21(25)27-4)11(2)23-19(10)20(24)12(3)28-22(26)18-15-6-13-5-14(8-15)9-16(18)7-13/h12-16,18,23H,5-9H2,1-4H3/t12-,13?,14?,15?,16?,18?/m0/s1