2-[5-(4-methylphenyl)carbonyl-1-(trideuteriomethyl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(4-methylphenyl)carbonyl-1-(trideuteriomethyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-methylbenzoyl)-1-(trideuteriomethyl)pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(4-methylphenyl)-oxomethyl]-1-(trideuteriomethyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(4-methylbenzoyl)-1-(trideuteriomethyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[5-p-toluoyl-1-(trideuteriomethyl)pyrrol-2-yl]acetic acid Formula: C15H15NO3 MolecularWeight: 260.302985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)/i2D3