2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-5-(4-methylphenyl)carbonyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid

Systemtic Name: 2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-5-(4-methylphenyl)carbonyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Openeye Name: 2-(2-ethoxy-2-oxo-ethyl)-1-methyl-5-(4-methylbenzoyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid CAS Name: 2-(2-ethoxy-2-oxoethyl)-1-methyl-5-[(4-methylphenyl)-oxomethyl]-4-(trifluoromethyl)-3-pyrrolecarboxylic acid IUPAC Name: 2-(2-ethoxy-2-oxoethyl)-1-methyl-5-(4-methylbenzoyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid Traditional Name: 2-(2-ethoxy-2-keto-ethyl)-1-methyl-5-p-toluoyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Formula: C19H18F3NO5 MolecularWeight: 397.34513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3NO5/c1-4-28-13(24)9-12-14(18(26)27)15(19(20,21)22)16(23(12)3)17(25)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,26,27)