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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-cyanophenyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-cyanophenyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-cyanophenyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-cyanophenyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(4-cyanophenyl)-5-methyl-1-piperonyl-pyrrol-2-yl]propionic acid methyl ester Formula: C25H23N3O5 MolecularWeight: 445.46722

Click to see the large picture

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#N)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O5/c1-15-23(25(27)30)24(18-6-3-16(12-26)4-7-18)19(8-10-22(29)31-2)28(15)13-17-5-9-20-21(11-17)33-14-32-20/h3-7,9,11H,8,10,13-14H2,1-2H3,(H2,27,30)