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

Systemtic Name: methyl 4-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-5-methyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-2-ethyl-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-2-ethyl-5-methyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-2-ethyl-5-methylpyrrol-3-yl]benzoate Traditional Name: 4-(4-carbamoyl-2-ethyl-5-methyl-1-piperonyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H24N2O5/c1-4-18-22(16-6-8-17(9-7-16)24(28)29-3)21(23(25)27)14(2)26(18)12-15-5-10-19-20(11-15)31-13-30-19/h5-11H,4,12-13H2,1-3H3,(H2,25,27)