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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-4-carbamoyl-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-4-carbamoyl-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-4-carbamoyl-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[3-(4-bromophenyl)-4-carbamoyl-5-methyl-1-piperonyl-pyrrol-2-yl]propionic acid methyl ester Formula: C24H23BrN2O5 MolecularWeight: 499.35382

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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)Br)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C24H23BrN2O5/c1-14-22(24(26)29)23(16-4-6-17(25)7-5-16)18(8-10-21(28)30-2)27(14)12-15-3-9-19-20(11-15)32-13-31-19/h3-7,9,11H,8,10,12-13H2,1-2H3,(H2,26,29)