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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-[4-(trifluoromethyl)phenyl]-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-1-piperonyl-3-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propionic acid methyl ester Formula: C25H23F3N2O5 MolecularWeight: 488.45573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=CC=C(C=C4)C(F)(F)F)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=CC=C(C=C4)C(F)(F)F)C(=O)N

InChI

InChI=1S/C25H23F3N2O5/c1-14-22(24(29)32)23(16-4-6-17(7-5-16)25(26,27)28)18(8-10-21(31)33-2)30(14)12-15-3-9-19-20(11-15)35-13-34-19/h3-7,9,11H,8,10,12-13H2,1-2H3,(H2,29,32)