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

Systemtic Name: 2-(carboxymethyl)-1-methyl-5-(4-methylphenyl)carbonyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-1-methyl-5-(4-methylbenzoyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-1-methyl-5-[(4-methylphenyl)-oxomethyl]-4-(trifluoromethyl)-3-pyrrolecarboxylic acid IUPAC Name: 2-(carboxymethyl)-1-methyl-5-(4-methylbenzoyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-1-methyl-5-p-toluoyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Formula: C17H14F3NO5 MolecularWeight: 369.29197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3NO5/c1-8-3-5-9(6-4-8)15(24)14-13(17(18,19)20)12(16(25)26)10(21(14)2)7-11(22)23/h3-6H,7H2,1-2H3,(H,22,23)(H,25,26)