methyl 3-[4-aminocarbonyl-1-butyl-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-1-butyl-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-butyl-4-carbamoyl-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate CAS Name: 3-[1-butyl-4-carbamoyl-5-methyl-3-[4-(trifluoromethyl)phenyl]-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-butyl-4-carbamoyl-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate Traditional Name: 3-[1-butyl-4-carbamoyl-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propionic acid methyl ester Formula: C21H25F3N2O3 MolecularWeight: 410.43001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=CC=C(C=C2)C(F)(F)F)C(=O)N)C

Isomeric SMILES

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=CC=C(C=C2)C(F)(F)F)C(=O)N)C

InChI

InChI=1S/C21H25F3N2O3/c1-4-5-12-26-13(2)18(20(25)28)19(16(26)10-11-17(27)29-3)14-6-8-15(9-7-14)21(22,23)24/h6-9H,4-5,10-12H2,1-3H3,(H2,25,28)