2-(carboxymethyl)-5-(4-methoxyphenyl)carbonyl-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-5-(4-methoxyphenyl)carbonyl-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-5-(4-methoxybenzoyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-5-[(4-methoxyphenyl)-oxomethyl]-1-methyl-4-(trifluoromethyl)-3-pyrrolecarboxylic acid IUPAC Name: 2-(carboxymethyl)-5-(4-methoxybenzoyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-1-methyl-5-p-anisoyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Formula: C17H14F3NO6 MolecularWeight: 385.29137

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=C1C(=O)C2=CC=C(C=C2)OC)C(F)(F)F)C(=O)O)CC(=O)O

Isomeric SMILES

CN1C(=C(C(=C1C(=O)C2=CC=C(C=C2)OC)C(F)(F)F)C(=O)O)CC(=O)O

InChI

InChI=1S/C17H14F3NO6/c1-21-10(7-11(22)23)12(16(25)26)13(17(18,19)20)14(21)15(24)8-3-5-9(27-2)6-4-8/h3-6H,7H2,1-2H3,(H,22,23)(H,25,26)