1-(phenylmethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrole-3-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrole-3-carboxylic acid CAS Name: 4-[oxo-[3-(trifluoromethyl)anilino]methyl]-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrole-3-carboxylic acid Traditional Name: 1-benzyl-4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrole-3-carboxylic acid Formula: C20H15F3N2O3 MolecularWeight: 388.33991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=C2)C(=O)O)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=C2)C(=O)O)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O3/c21-20(22,23)14-7-4-8-15(9-14)24-18(26)16-11-25(12-17(16)19(27)28)10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,24,26)(H,27,28)