[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H29NO3/c1-4-22-13(2)5-18(14(22)3)20(24)25-12-19(23)21-9-15-6-16(10-21)8-17(7-15)11-21/h5,15-17H,4,6-12H2,1-3H3