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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxy-3-methyl-phenyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-methoxy-3-methyl-phenyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-methoxy-3-methylphenyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-methoxy-3-methylphenyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(4-methoxy-3-methyl-phenyl)-5-methyl-1-piperonyl-pyrrol-2-yl]propionic acid methyl ester Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6/c1-15-11-18(6-9-20(15)31-3)25-19(7-10-23(29)32-4)28(16(2)24(25)26(27)30)13-17-5-8-21-22(12-17)34-14-33-21/h5-6,8-9,11-12H,7,10,13-14H2,1-4H3,(H2,27,30)