[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H25NO4/c1-12(22)16-6-17(21(2)10-16)19(24)25-11-18(23)20-7-13-3-14(8-20)5-15(4-13)9-20/h6,10,13-15H,3-5,7-9,11H2,1-2H3