ethyl 2-[5-(4-methylphenyl)carbonyl-1-(trideuteriomethyl)pyrrol-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-(4-methylphenyl)carbonyl-1-(trideuteriomethyl)pyrrol-2-yl]ethanoate Openeye Name: ethyl 2-[5-(4-methylbenzoyl)-1-(trideuteriomethyl)pyrrol-2-yl]acetate CAS Name: 2-[5-[(4-methylphenyl)-oxomethyl]-1-(trideuteriomethyl)-2-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-methylbenzoyl)-1-(trideuteriomethyl)pyrrol-2-yl]acetate Traditional Name: 2-[5-p-toluoyl-1-(trideuteriomethyl)pyrrol-2-yl]acetic acid ethyl ester Formula: C17H19NO3 MolecularWeight: 288.356145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(N1C)C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

[2H]C([2H])([2H])N1C(=CC=C1C(=O)C2=CC=C(C=C2)C)CC(=O)OCC

InChI

InChI=1S/C17H19NO3/c1-4-21-16(19)11-14-9-10-15(18(14)3)17(20)13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3/i3D3