[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29NO3/c1-13-4-18(14(2)22(13)3)19(23)12-25-20(24)11-21-8-15-5-16(9-21)7-17(6-15)10-21/h4,15-17H,5-12H2,1-3H3