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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(4-methylphenyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(p-tolyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(4-methylphenyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(4-methylphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-1-piperonyl-3-(p-tolyl)pyrrol-2-yl]propionic acid methyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=C2C(=O)N)C)CC3=CC4=C(C=C3)OCO4)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=C2C(=O)N)C)CC3=CC4=C(C=C3)OCO4)CCC(=O)OC

InChI

InChI=1S/C25H26N2O5/c1-15-4-7-18(8-5-15)24-19(9-11-22(28)30-3)27(16(2)23(24)25(26)29)13-17-6-10-20-21(12-17)32-14-31-20/h4-8,10,12H,9,11,13-14H2,1-3H3,(H2,26,29)