ethyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-4-(trifluoromethyl)pyrrol-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-4-(trifluoromethyl)pyrrol-2-yl]ethanoate Openeye Name: ethyl 2-[1-methyl-5-(4-methylbenzoyl)-4-(trifluoromethyl)pyrrol-2-yl]acetate CAS Name: 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-4-(trifluoromethyl)-2-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-methyl-5-(4-methylbenzoyl)-4-(trifluoromethyl)pyrrol-2-yl]acetate Traditional Name: 2-[1-methyl-5-p-toluoyl-4-(trifluoromethyl)pyrrol-2-yl]acetic acid ethyl ester Formula: C18H18F3NO3 MolecularWeight: 353.33563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3NO3/c1-4-25-15(23)10-13-9-14(18(19,20)21)16(22(13)3)17(24)12-7-5-11(2)6-8-12/h5-9H,4,10H2,1-3H3