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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-methoxyphenyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-1-piperonyl-pyrrol-2-yl]propionic acid methyl ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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)OC)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O6/c1-15-23(25(26)29)24(17-5-7-18(30-2)8-6-17)19(9-11-22(28)31-3)27(15)13-16-4-10-20-21(12-16)33-14-32-20/h4-8,10,12H,9,11,13-14H2,1-3H3,(H2,26,29)