ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H16F6N2O3 MolecularWeight: 422.321659

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C18H16F6N2O3/c1-4-29-16(28)14-8(2)13(9(3)25-14)15(27)26-12-6-10(17(19,20)21)5-11(7-12)18(22,23)24/h5-7,25H,4H2,1-3H3,(H,26,27)